SCHEMBL1900960

SCHEMBL1900960

Nc1nonc1-c1nc2ccccc2n1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
TSHR P16473 3/20 0.71
MAPT P10636 2/20 0.70
HTT P42858 2/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
MAPK1 P28482 1/20 0.70
PRKACA P17612 2/20 0.69
RPS6KB1 P23443 2/20 0.69
GSK3B P49841 2/20 0.69
ROCK1 Q13464 2/20 0.69
RPS6KA5 O75582 1/20 0.69
BCHE P06276 1/20 0.67

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
SCHEMBL1899190 0.90 KDM4E (0.82) KDM4ETSHRMAPTHTTALDH1A1
SCHEMBL1387066 0.89 KDM4E (0.80) KDM4ETSHRMAPTHTTALDH1A1
SCHEMBL12676576 0.89 KDM4E (0.80) KDM4ETSHRHTTPRKACARPS6KB1
SCHEMBL14364650 0.87 KDM4E (0.77) KDM4ETSHRHTTPRKACARPS6KB1
SCHEMBL14364657 0.87 KDM4E (0.77) KDM4ETSHRHTTPRKACARPS6KB1
SCHEMBL29728191 0.86 MAPT (0.85) MAPTBCHE
SCHEMBL28787664 0.86 MAPT (0.85) MAPTBCHE
SCHEMBL15225469 0.86 KDM4E (0.75) KDM4ETSHRMAPTHTTLMNA
SCHEMBL5521696 0.86 KDM4E (0.75) KDM4ETSHRMAPTBCHE
SCHEMBL1899657 0.86 KDM4E (0.75) KDM4ETSHRLMNAPRKACARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920178-A Compound with benzimidazole structure and preparation method and application thereof 中国药科大学 2021-06-08 CN claimed
EP-2322521-B1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMA (US) 2013-09-04 EP claimed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 EP claimed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US claimed
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 US claimed
CN-112920178-A Compound with benzimidazole structure and preparation method and application thereof 中国药科大学 2021-06-08 CN disclosed
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
EP-2322521-B1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMA (US) 2013-09-04 EP disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
EP-2322521-A1 Heteroaryl compounds useful as inhibitors of GSK-3 Vertex Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS, INCORPORATED 2004-02-19 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 (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-20070270420-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP KDM4E 1132/4885TSHR 4653/4885MAPT 256/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX KDM4E 2274/4885TSHR 4298/4885MAPT 3791/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX KDM4E 2238/4885TSHR 2069/4885MAPT 1792/4885
US-20040034037-A1 Heteroaryl compounds useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP KDM4E 1132/4885TSHR 4653/4885MAPT 256/4885

“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.