SCHEMBL7239055

SCHEMBL7239055

Nc1nc(C=Cc2ccccc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.53
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 3/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP19A1 P11511 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL7239050 1.00 GRM4 (0.53) GRM4ALDH1A1KDM4EHPGDHDAC6
SCHEMBL26187896 0.80 GRM4 (0.57) GRM4ALDH1A1KDM4EHPGDMEN1
SCHEMBL24434978 0.80 AKR1C3 (0.43) GRM4ALDH1A1KDM4EHPGDMEN1
SCHEMBL6312461 0.78 GRM5 (0.69) GRM4ALDH1A1KDM4EHPGDHDAC6
SCHEMBL8803696 0.78 MEN1 (0.48) GRM4ALDH1A1KDM4EHPGDHDAC6
SCHEMBL8803702 0.78 MEN1 (0.48) GRM4ALDH1A1KDM4EHPGDHDAC6
SCHEMBL6312457 0.78 GRM5 (0.69) GRM4ALDH1A1KDM4EHPGDHDAC6
SCHEMBL4867265 0.76 MAPT (0.56) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4867275 0.76 MAPT (0.56) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9455002 0.74 KDM4E (0.44) GRM4ALDH1A1KDM4EHPGDHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993587-A Thiazole derivatives as protein secretion inhibitors 科智生命科学公司 2022-01-28 CN disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 WO 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 (1 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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 GRM4 4074/4885ALDH1A1 13/4885KDM4E 4421/4885

“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.