SCHEMBL10000246

SCHEMBL10000246

Cc1ccc(-c2cnc(C)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10000245 1.00 NPSR1 (0.48) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12786339 0.92 NPC1 (0.44) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17051537 0.91 NPC1 (0.48) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17051544 0.88 NPC1 (0.50) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17051535 0.84 KDM1A (0.49) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17051520 0.84 CCR1 (0.48) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10021910 0.83 NPC1 (0.35) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17051517 0.83 CCR1 (0.58) NPSR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17055533 0.82 RAB9A (0.58) NPSR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2608309 0.82 NPC1 (0.60) NPSR1NPC1RAB9ASMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023227734-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2023-11-30 WO disclosed
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-20180019068-A9 MODULATING ELECTRON TRANSFER DYNAMICS AT HYBRID INTERFACES VIA SELF-ASSEMBLED MULTILAYERS The Florida State University Research Foundation, Inc. 2018-01-18 US disclosed
US-9761804-B2 Oligomeric organic light emitting diode (OLED) materials containing multiple crosslinking functions LOMOX LIMITED (GB) 2017-09-12 US disclosed
US-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 US disclosed
US-20170200563-A1 MODULATING ELECTRON TRANSFER DYNAMICS AT HYBRID INTERFACES VIA SELF-ASSEMBLED MULTILAYERS UNIV FLORIDA STATE RES FOUND (US) 2017-07-13 US disclosed
WO-2017076187-A1 1,4(1,4)-DIPHENYLHEXACYCLOPHANE-12,43-DIYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2017-05-11 WO disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
US-7425281-B2 Liquid crystal compositions comprising an organogermanium compound and methods for using the same DISPLAYTECH, INC. (US) 2008-09-16 US disclosed
US-20080204608-A1 Liquid Crystal Element, Optical Path Deflecting Element, and Image Displaying Apparatus RICOH COMPANY, LTD. (JP) 2008-08-28 US disclosed
US-20080204608-A1 Liquid Crystal Element, Optical Path Deflecting Element, and Image Displaying Apparatus RICOH COMPANY, LTD. (JP) 2008-08-28 US disclosed
EP-1237155-B1 Optical recording film, method for manufacturing the same, optical recording medium, method for manufacturing the same, optical recording method, information recording/reproducing apparatus, information reproducing/recording method, computer system and video signal recording/reproducing system MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-11-14 EP disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
US-7195719-B1 High polarization ferroelectric liquid crystal compositions DISPLAYTECH, INC. (US) 2007-03-27 US disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, OR10J3, ESR1 NPSR1 3715/4885NPC1 2043/4885RAB9A 1508/4885
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C NPSR1 200/4885NPC1 485/4885RAB9A 1943/4885
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 NPSR1 2347/4885NPC1 1372/4885RAB9A 1290/4885
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer CYP17A1, HSD17B3, HSD17B1 NPSR1 2524/4885NPC1 2862/4885RAB9A 4016/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.