SCHEMBL3501284

SCHEMBL3501284

CC(=O)c1cc(F)c(-c2ccc(F)cn2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
DHODH Q02127 5/20 0.42
MAOB P27338 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 1/20 0.39
EIF4E P06730 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMO O15229 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35

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 0.79 MAOB (0.46) ALOX5APFEN1MAOBEIF4ECES2
SCHEMBL3501871 0.79 DHODH (0.44) ALOX5APFEN1DHODHMAOBNPC1
SCHEMBL17239551 0.74 EIF4E (0.49) DHODHEIF4E
SCHEMBL17239513 0.72 NTRK1 (0.43) DHODHNPC1
SCHEMBL6561685 0.72 TSHR (0.46) MAOBCES2CES1
SCHEMBL3500816 0.72 NPC1 (0.48) ALOX5APFEN1EIF4ENPC1RXFP1
SCHEMBL3502245 0.72 NPC1 (0.41) DHODHMAOBGABRA5NPC1RXFP1
SCHEMBL19248543 0.71 KMO (0.47) ALOX5APFEN1DHODHGABRG2GABRB3
SCHEMBL30540118 0.71 KMO (0.47) ALOX5APFEN1DHODHGABRG2GABRB3
SCHEMBL12987550 0.69 ESR1 (0.46) ALOX5APFEN1DHODHKMO

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 6 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

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 ALOX5AP 3687/4885FEN1 4601/4885DHODH 4852/4885

“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.