SCHEMBL4698108

SCHEMBL4698108

Cc1cc(=O)[nH]c(C)c1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 5/20 0.39
CYP1A2 P05177 3/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 3/20 0.38
UPP1 Q16831 1/20 0.38
JAK1 P23458 1/20 0.38
CYP2C19 P33261 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ERN1 O75460 1/20 0.37
HSD17B10 Q99714 2/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10350333 0.82 MAPT (0.53) MAPTPOLBTSHRKDM4ECYP1A2
SCHEMBL3958910 0.82 NOTUM (0.50) MAPTTSHRKDM4ECYP1A2GAA
SCHEMBL7379657 0.82 CYP1A2 (0.45) MAPTTSHRKDM4ECYP1A2GAA
SCHEMBL4105190 0.74 ALDH1A1 (0.61) MAPTKDM4ECYP1A2GAAALDH1A1
SCHEMBL21543996 0.72 ALDH1A1 (0.59) MAPTPOLBKDM4EGAAALDH1A1
SCHEMBL9454351 0.72 CCNC (0.37) MAPTPOLBKDM4ECYP1A2GAA
SCHEMBL7758411 0.71 MAPT (0.42) MAPTPOLBKDM4ECYP1A2GAA
SCHEMBL580023 0.69 POLB (0.52) MAPTPOLBKDM4ECYP1A2GAA
SCHEMBL31257914 0.69 POLB (0.52) MAPTPOLBKDM4ECYP1A2MEN1
SCHEMBL4928504 0.69 KDM4E (0.47) MAPTKDM4ECYP1A2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11421218-B2 Methods for enhancing the efficiency of gene editing DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-08-23 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-1987036-A1 HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093520-A1 HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191335-A1 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease ROCHE PALO ALTO LLC 2007-08-16 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 (4 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MAPT 3775/4885POLB 4540/4885TSHR 2320/4885
US-20070191335-A1 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease CCR5, CXCR1, CXCR3 MAPT 3482/4885POLB 2402/4885TSHR 111/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MAPT 3775/4885POLB 4540/4885TSHR 2320/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 MAPT 3524/4885POLB 4437/4885TSHR 2567/4885

“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.