SCHEMBL8337885

SCHEMBL8337885

Cc1ccc(-c2ccc3ncccc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
POLB P06746 2/20 0.78
RAB9A P51151 2/20 0.78
ALDH1A1 P00352 6/20 0.72
DYRK1A Q13627 1/20 0.62
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL23555377 1.00 NPC1 (0.78) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL29757180 0.88 NPC1 (1.00) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL30743 0.88 NPC1 (1.00) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL28053968 0.86 RAB9A (0.72) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL12386953 0.85 ALDH1A1 (0.72) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL443618 0.85 NPC1 (0.84) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL30592751 0.85 NPC1 (0.84) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL12075055 0.85 NPC1 (0.84) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL10268204 0.85 NPC1 (0.60) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL130884 0.84 ALDH1A1 (1.00) NPC1POLBRAB9AALDH1A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2023-09-26 US disclosed
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2023-09-26 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-06-24 US disclosed
WO-2021120838-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-06-24 WO disclosed
WO-2021082714-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-05-06 WO disclosed
EP-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
CN-107459535-A Polysubstituted quinoline coordinated iridium hybrid compound and preparation method and application thereof 南京工业大学 2017-12-12 CN disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 US disclosed
US-7662845-B2 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase MMP12 ASTRAZENECA AB (SE) 2010-02-16 US disclosed
US-7662845-B2 2,5-Dioxoimidazolidin-4-yl acetamides and analogues as inhibitors of metalloproteinase MMP12 ASTRAZENECA AB (SE) 2010-02-16 US disclosed
US-20100021940-A1 Method for Determining the Activity of a Protease in a Sample ASTRAZENECA AB (SE) 2010-01-28 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 US disclosed
US-7354940-B2 2,5-dioxoimidazolidin-4-yl acetamines and analogues as inhibitors of metalloproteinase mmp12 ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-7354940-B2 2,5-dioxoimidazolidin-4-yl acetamines and analogues as inhibitors of metalloproteinase mmp12 ASTRAZENECA AB (SE) 2008-04-08 US disclosed
WO-2004024060-A2 METALLOPROTEINASE INHIBITORS AND INTERMEDIATES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004020415-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. ASTRAZENECA AB (SE) 2004-03-11 WO 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 (7 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A NPC1 2072/4885POLB 4133/4885RAB9A 2533/4885
US-20100021940-A1 Method for Determining the Activity of a Protease in a Sample CTRL, PRSS1, PREP NPC1 1131/4885POLB 3481/4885RAB9A 2355/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A NPC1 2072/4885POLB 4133/4885RAB9A 2533/4885
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 NPC1 4344/4885POLB 1855/4885RAB9A 4644/4885
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes JUP, L1CAM, EPCAM NPC1 3239/4885POLB 473/4885RAB9A 2248/4885
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES JUP, L1CAM, EPCAM NPC1 3239/4885POLB 473/4885RAB9A 2248/4885
US-20090066231-A1 Electroluminescent device CD99, TEC, TYR NPC1 4682/4885POLB 3677/4885RAB9A 2229/4885

“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.