SCHEMBL6316170

SCHEMBL6316170

CC(C)c1cc[c]cc1C(=O)NCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL6312656 0.78 SIRT5 (0.46) NPSR1LMNAL3MBTL1CA1CA2
SCHEMBL6321645 0.78 TSHR (0.43) NPSR1LMNAL3MBTL1TSHRMEN1
SCHEMBL6320179 0.78 NPC1 (0.43) NPSR1LMNAL3MBTL1KMT2ACA1
SCHEMBL6320988 0.78 KMT2A (0.48) NPSR1L3MBTL1TSHRKMT2A
SCHEMBL6312283 0.77 CA1 (0.41) NPSR1MMEACELMNAL3MBTL1
SCHEMBL6319508 0.75 NPC1 (0.43) NPSR1LMNAL3MBTL1CA1CA2
SCHEMBL4523453 0.71 CA1 (0.57) LMNAL3MBTL1ITGB3CA1CA2
SCHEMBL6313462 0.70 CYP2C19 (0.45) L3MBTL1
SCHEMBL4324944 0.70 NPSR1 (0.46) NPSR1TSHRMEN1KMT2AHIF1A
SCHEMBL6312483 0.70 NPSR1 (0.48) NPSR1LMNAL3MBTL1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR NPSR1 198/4885MME 1598/4885ACE 1097/4885

“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.