SCHEMBL3501871

SCHEMBL3501871

CC(=O)c1ccc(-c2ccc(F)cn2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
MAOB P27338 1/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
NPC1 O15118 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMO O15229 2/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
FYN P06241 1/20 0.40
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALPL P05186 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
SCHEMBL3502245 0.87 NPC1 (0.41) DHODHMAOBNPC1RXFP1MAPT
SCHEMBL3501284 0.79 ALOX5AP (0.42) DHODHMAOBALOX5APFEN1NPC1
SCHEMBL30540118 0.78 KMO (0.47) DHODHALOX5APFEN1NPC1KMO
SCHEMBL19248543 0.78 KMO (0.47) DHODHALOX5APFEN1NPC1KMO
SCHEMBL3502067 0.78 NPC1 (0.63) MAOBNPC1RXFP1MAPTRAB9A
SCHEMBL4388622 0.77 P4HA1 (0.58) DHODHFEN1NPC1RXFP1KMO
SCHEMBL22801096 0.77 FYN (0.58) MAOBNPC1RXFP1FYNHPGDS
SCHEMBL12987550 0.76 ESR1 (0.46) DHODHALOX5APFEN1KMO
SCHEMBL9607067 0.75 DHODH (0.47) DHODHMAOBALOX5APFEN1NPC1
SCHEMBL6313842 0.75 SYK (0.43) MAOBALOX5APFEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
EP-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051406-A2 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-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators BRS3, INSR, INSRR DHODH 4852/4885MAOB 2828/4885ALOX5AP 3687/4885

“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.