SCHEMBL3500057

SCHEMBL3500057

CON(C)C(=O)C(F)(F)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
MLYCD O95822 1/20 0.45
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.34
NCEH1 Q6PIU2 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL162341 0.85 MLYCD (0.46) MEN1KMT2AMLYCDMAPTRAB9A
SCHEMBL3047658 0.81 KMT2A (0.50) MEN1KMT2ATDP1MLYCDMAPT
SCHEMBL6451094 0.80 PTGDR2 (0.43) MLYCDMAPTRAB9AKDM4E
SCHEMBL18668218 0.78 RXRA (0.45) MLYCDCA2
SCHEMBL20639834 0.77 MEN1 (0.40) MEN1KMT2ATDP1MLYCDMAPT
SCHEMBL16934621 0.75 KMT2A (0.44) MEN1KMT2ATDP1CA1CA2
SCHEMBL19926512 0.74 CA1 (0.39) MEN1KMT2ATDP1MLYCDCA1
SCHEMBL20681716 0.74 MTNR1A (0.39) MLYCDMAPTLMNAALDH1A1
SCHEMBL3502057 0.72 RXFP1 (0.42) MLYCDRAB9ARXFP1
SCHEMBL25006865 0.72 RIPK1 (0.41) MEN1KMT2AMLYCDMAPTRAB9A

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-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
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 MEN1 905/4885KMT2A 4416/4885TDP1 3540/4885

“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.