SCHEMBL224856

SCHEMBL224856

Nc1cc(-c2ccccc2)no1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.61
NPC1 O15118 10/20 0.61
NOTUM Q6P988 3/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
BLM P54132 1/20 0.53
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
NFKB2 Q00653 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
SCHEMBL23292571 0.81 NOTUM (0.45) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL23292595 0.81 MAOA (0.47) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL2159925 0.81 MAPT (0.47) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL2686660 0.81 MAPT (0.47) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL1787030 0.80 RAB9A (0.53) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL4093680 0.80 RAB9A (0.46) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL31215055 0.79 KDM4E (0.46) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL2159980 0.79 PTGS2 (0.51) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL474171 0.79 NOTUM (0.61) RAB9ANPC1NOTUMMEN1KMT2A
SCHEMBL3358354 0.79 RAB9A (0.56) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11165098-B2 Substituted isoxazoles for lithium batteries GOTION, INC. (US) 2021-11-02 US claimed
CN-107636871-B Substituted isoxazoles for lithium batteries 国轩高科美国研究院 2021-02-09 CN claimed
CN-107628979-B Method for synthesizing 2H-azacyclo acrylamide 南京工业大学 2020-04-14 CN claimed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-20180138550-A1 Substituted Isoxazoles For Lithium Batteries GOTION INC (US) 2018-05-17 US claimed
CN-107636871-A Substitution isoxazole for lithium battery 国轩高科美国研究院 2018-01-26 CN claimed
WO-2016166030-A1 SUBSTITUTED ISOXAZOLES FOR LITHIUM BATTERIES BASF SE (DE) 2016-10-20 WO claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
JP-63188625-A None JP disclosed
EP-4713306-A1 NOVEL TRACER FOR THE IN VIVO DETECTION OF THE AGGREGATION OF ALPHA-SYNUCLEIN Stichting Amsterdam UMC (NL) 2026-03-25 EP disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
JP-S63188625-A NOVEL AMINOISOXAZOLE DERIVATIVE AND REMEDY FOR CEREBROVASCULAR DISORDER COMPRISING SAID DERIVATIVE AS ACTIVE INGREDIENT MITSUI TOATSU CHEM INC 1988-08-04 JP 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 (2 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RAB9A 2182/4885NPC1 1425/4885NOTUM 2438/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 RAB9A 4235/4885NPC1 4814/4885NOTUM 1891/4885

“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.