SCHEMBL10000239

SCHEMBL10000239

Cc1ccc(-c2ccc(C)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KMT2A Q03164 4/20 0.47
NOTUM Q6P988 2/20 0.47
POLB P06746 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 3/20 0.44
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41

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
Ammonia Solution, Strong SCHEMBL28862433 0.98 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL10000247 0.98 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051572 0.98 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051575 0.93 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL10000254 0.90 NPC1 (0.61) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051530 0.88 KDM1A (0.45) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051542 0.86 CCR1 (0.56) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051585 0.84 CCR1 (0.43) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL17051578 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL23084949 0.82 MAPT (0.45) NPC1RAB9ASMN1; SMN2LMNANFKB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 US 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-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-8158020-B2 Liquid crystal element, optical path deflecting element, and image displaying apparatus RICOH COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-8158020-B2 Liquid crystal element, optical path deflecting element, and image displaying apparatus RICOH COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 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
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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 (3 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SMN1; SMN2 4162/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NPC1 77/4885RAB9A 94/4885SMN1; SMN2 2668/4885
US-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS RNGTT, UNG, RNASEL NPC1 2699/4885RAB9A 3130/4885SMN1; SMN2 2304/4885

“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.