SCHEMBL2901531

SCHEMBL2901531

Cc1cccc(C)c1Cn1c(-c2ncccc2OCC(N)=O)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 4/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
PDPK1 O15530 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL639847 0.87 KDM4E (0.50) PLA2G2AALDH1A1GAANPSR1RECQL
SCHEMBL2905371 0.84 POLB (0.46) PLA2G2AALDH1A1GAANPSR1KDM4E
SCHEMBL2907759 0.83 PLA2G2A (0.43) PLA2G2AALDH1A1GAATP53SMN1; SMN2
SCHEMBL2907639 0.82 PLA2G2A (0.44) PLA2G2AALDH1A1GAANPSR1RECQL
SCHEMBL2901560 0.81 NPSR1 (0.42) PLA2G2AALDH1A1GAANPSR1RECQL
SCHEMBL2910004 0.81 ALDH1A1 (0.45) PLA2G2AALDH1A1GAANPSR1RECQL
SCHEMBL2906933 0.80 NPSR1 (0.53) PLA2G2AALDH1A1GAANPSR1RECQL
SCHEMBL2905631 0.80 LMNA (0.51) PLA2G2AALDH1A1GAANPSR1RECQL
SCHEMBL2902355 0.79 HTT (0.44) PLA2G2AALDH1A1GAANPSR1KDM4E
SCHEMBL2903474 0.77 KMT2A (0.42) PLA2G2AALDH1A1GAANPSR1RECQL

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
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US claimed
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
EP-2121627-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008101586-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-08-28 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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 PLA2G2A 4691/4885ALDH1A1 1591/4885GAA 625/4885

“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.