SCHEMBL3519443

SCHEMBL3519443

O=CCCc1ccc(-c2cccnc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MAOB P27338 2/20 0.40
ADORA2A P29274 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPK1 P28482 1/20 0.38
BRS3 P32247 1/20 0.38

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
SCHEMBL3515603 0.86 LTA4H (0.49) L3MBTL1POLBRAB9ATSHRCASP3
SCHEMBL3515712 0.83 BRS3 (0.51) L3MBTL1RAB9ATSHRKMT2AKDM4E
SCHEMBL10635711 0.76 KMT2A (0.65) L3MBTL1RAB9ATSHRTDP1KMT2A
SCHEMBL21726019 0.74 POLB (0.52) L3MBTL1POLBRAB9ATSHRCASP3
SCHEMBL3517990 0.73 BRS3 (0.66) BRS3
SCHEMBL23996876 0.72 POLB (0.56) L3MBTL1POLBRAB9ATSHRCASP3
SCHEMBL19808952 0.72 TDP1 (0.59) L3MBTL1POLBRAB9ATSHRCASP3
SCHEMBL28484299 0.72 KDM4E (0.41) L3MBTL1POLBTSHRTDP1LMNA
SCHEMBL25780927 0.71 BRD4 (0.56) RAB9ATSHRKMT2ALMNAKDM4E
SCHEMBL20201222 0.71 POLB (0.57) L3MBTL1POLBRAB9ATSHRCASP3

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-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
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
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US 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 L3MBTL1 1191/4885POLB 4856/4885RAB9A 1368/4885

“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.