SCHEMBL3515712

SCHEMBL3515712

O=CCCc1ccc(-c2cccnc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.51
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
GPR52 Q9Y2T5 2/20 0.38
ATM Q13315 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL3519443 0.83 L3MBTL1 (0.46) BRS3KDM4EMAPTALDH1A1TSHR
SCHEMBL3517126 0.83 BRS3 (0.53) BRS3AGTR1AGTR2KDM4EMAPT
SCHEMBL28032122 0.80 ADRB2 (0.50) BRS3AGTR1AGTR2KDM4EMAPT
SCHEMBL2560830 0.78 KDM4E (0.47) BRS3AGTR1AGTR2KDM4EMAPT
SCHEMBL287699 0.77 KDM4E (0.57) BRS3AGTR1AGTR2KDM4EMAPT
SCHEMBL3515882 0.77 GPR52 (0.55) BRS3GPR52
SCHEMBL2323790 0.74 KDM4E (0.50) BRS3AGTR1AGTR2KDM4EMAPT
SCHEMBL5258713 0.74 KDM4E (0.50) BRS3AGTR1AGTR2KDM4EMAPT
SCHEMBL6269375 0.74 ADRB2 (0.53) KDM4EMAPTALDH1A1CYP3A4GPR52
SCHEMBL28279600 0.74 KDM4E (0.53) BRS3AGTR1AGTR2KDM4EMAPT

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
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR BRS3 1/4885AGTR1 290/4885AGTR2 361/4885

“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.