SCHEMBL1102401

SCHEMBL1102401

CC(C)c1ccc(-c2nc3ccccc3o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
RAB9A P51151 5/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ATM Q13315 1/20 0.68
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 4/20 0.61
KDM4E B2RXH2 3/20 0.61
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54

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
SCHEMBL23079718 0.94 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL14523837 0.87 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11368923 0.87 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31170 0.86 NPC1 (0.81) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13426596 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2AATM
SCHEMBL15783208 0.85 NPC1 (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL14030921 0.84 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL21544993 0.84 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL24250386 0.84 NPC1 (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31476 0.84 NPC1 (0.79) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-10930859-B2 Phenanthroquinazoline-core compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2021-02-23 US disclosed
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
US-20200303659-A1 PHENANTHROQUINAZOLINE-CORE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2020-09-24 US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-10221130-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 CN disclosed
US-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 US disclosed
US-20130030029-A1 Glucagon Antagonists METABASIS THERAPEUTICS, INC. (US) 2013-01-31 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-22 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 US disclosed
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-09-17 US disclosed
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 US disclosed
US-7332516-B2 Geminally di-substituted NSAID derivatives as Aβ42 lowering agents MERCK + CO., INC. (US) 2008-02-19 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 (14 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-20100096982-A1 Novel organic electroluminescent compounds and organic electrouminescent device using the same OCIAD1, OR10J3, ORMDL3 NPC1 2861/4885RAB9A 646/4885MEN1 3162/4885
US-20130030029-A1 Glucagon Antagonists GLP1R, GCG, GCGR NPC1 830/4885RAB9A 2162/4885MEN1 1986/4885
US-20090230852-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OXER1, L1CAM, RPL41 NPC1 2149/4885RAB9A 2994/4885MEN1 2284/4885
US-10930859-B2 Phenanthroquinazoline-core compounds TOP1, TOP2A, BICRA NPC1 844/4885RAB9A 2212/4885MEN1 173/4885
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A NPC1 3063/4885RAB9A 1843/4885MEN1 3994/4885
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 NPC1 2971/4885RAB9A 708/4885MEN1 2382/4885
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 NPC1 2060/4885RAB9A 3322/4885MEN1 396/4885
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 NPC1 1582/4885RAB9A 3169/4885MEN1 4462/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 NPC1 2971/4885RAB9A 708/4885MEN1 2382/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 NPC1 2060/4885RAB9A 3322/4885MEN1 396/4885
US-20200303659-A1 PHENANTHROQUINAZOLINE-CORE COMPOUNDS TOP1, TOP2A, BICRA NPC1 844/4885RAB9A 2212/4885MEN1 173/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 NPC1 2925/4885RAB9A 693/4885MEN1 1677/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 NPC1 2971/4885RAB9A 708/4885MEN1 2382/4885
US-10221130-B2 Glucagon antagonists GLP1R, GCG, GCGR NPC1 887/4885RAB9A 2260/4885MEN1 1962/4885

“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.