SCHEMBL3500816

SCHEMBL3500816

CC(=O)c1ccc(-c2ccc(F)cn2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
HPGDS O60760 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
P2RX7 Q99572 1/20 0.41
GRIA2 P42262 2/20 0.40
LDHA P00338 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FYN P06241 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL3501798 0.87 MAOB (0.46) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL3502067 0.80 NPC1 (0.63) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL19248552 0.78 NPC1 (0.43) NPC1RXFP1GRIA2RAB9ASMN1; SMN2
SCHEMBL27018665 0.77 GRIA2 (0.42) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL23249856 0.77 HSD17B1 (0.45) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL29890135 0.77 HSD17B1 (0.45) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL22801096 0.76 FYN (0.58) NPC1RXFP1HPGDSFYNMKNK2
SCHEMBL3823520 0.75 RXFP1 (0.49) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL1121927 0.75 CES2 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL30628278 0.75 CES2 (0.48) SMN1; SMN2ALDH1A1

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 8 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

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 NPC1 1685/4885RXFP1 131/4885PTPN1 3036/4885

“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.