SCHEMBL4482992

SCHEMBL4482992

NCCc1nc2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 1.00
NPC1 O15118 5/20 0.78
RAB9A P51151 4/20 0.78
MAPT P10636 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 3/20 0.68
HTT P42858 1/20 0.68
GFER P55789 1/20 0.68
LMNA P02545 1/20 0.59
DDAH1 O94760 1/20 0.53
ADRA2C P18825 1/20 0.53
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 5/20 0.48
DRD2 P14416 3/20 0.48

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
Hydrochloric Acid SCHEMBL28542524 0.98 LOXL2 (0.96) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10796782 0.89 LOXL2 (0.80) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL155002 0.88 MAPT (1.00) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8424117 0.86 LOXL2 (0.75) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1786789 0.84 LOXL2 (0.72) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11399187 0.84 MAPT (0.84) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9642061 0.84 MAPT (0.84) LOXL2NPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL242283 0.82 LOXL2 (0.70) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2123399 0.81 MAPT (0.78) LOXL2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL31276791 0.81 MAPT (0.78) LOXL2NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534804-B2 Benzoxazole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US claimed
US-20070049628-A1 Benzoxazole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-08-25 US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-9243001-B2 Substituted benzene compounds Epizyme, Inc. (US) 2016-01-26 US disclosed
EP-2970281-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 WO disclosed
US-20140315945-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-10-23 US disclosed
US-7534804-B2 Benzoxazole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US disclosed
CN-101287718-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2008-10-15 CN disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20070049628-A1 Benzoxazole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (8 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD LOXL2 3046/4885NPC1 50/4885RAB9A 2581/4885
US-20070049628-A1 Benzoxazole inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B LOXL2 11/4885NPC1 1288/4885RAB9A 4142/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD LOXL2 3123/4885NPC1 59/4885RAB9A 2271/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 LOXL2 2169/4885NPC1 841/4885RAB9A 3815/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 LOXL2 4518/4885NPC1 239/4885RAB9A 1728/4885
US-20140315945-A1 Substituted Benzene Compounds VHL, AHR, TP53 LOXL2 3500/4885NPC1 1399/4885RAB9A 4520/4885
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS VHL, AHR, TP53 LOXL2 3500/4885NPC1 1399/4885RAB9A 4520/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD LOXL2 3123/4885NPC1 59/4885RAB9A 2271/4885

“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.