SCHEMBL10085136

SCHEMBL10085136

Cc1cccc2c1Cn1c(-c3ccccc3OCC(N)=O)nc3cccc-2c31

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.38
ADORA1 P30542 1/20 0.38
CASP1 P29466 1/20 0.37
NOTUM Q6P988 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ACACA Q13085 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2A P14555 1/20 0.34
TIPARP Q7Z3E1 1/20 0.34
ANXA2 P07355 1/20 0.33
S100A10 P60903 1/20 0.33

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
SCHEMBL10086083 0.88 KCNN4 (0.39) KCNN4ADORA1CASP1NOTUMKMT2A
SCHEMBL10086084 0.88 NOTUM (0.34) KCNN4ADORA1CASP1NOTUMKMT2A
SCHEMBL10084845 0.87 KCNN4 (0.40) KCNN4ADORA1CASP1NOTUMKMT2A
SCHEMBL10085608 0.76 LMNA (0.36) CASP1KMT2AMEN1HTTNPC1
SCHEMBL640905 0.74 PLA2G2A (0.39) KCNN4ADORA1CASP1NOTUMKDM4E
SCHEMBL640699 0.74 PLA2G2A (0.41) KCNN4ADORA1CASP1KDM4EHTT
SCHEMBL639847 0.73 KDM4E (0.50) ADORA1KMT2AMEN1KDM4EHTT
SCHEMBL2901565 0.73 L3MBTL1 (0.40) KCNN4ADORA1PLA2G2A
SCHEMBL10085137 0.73 FFAR1 (0.37) KCNN4ACACAMAPTTIPARP
SCHEMBL2908237 0.71 HTT (0.58) KMT2AMEN1KDM4EHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 KCNN4 1284/4885ADORA1 534/4885CASP1 680/4885

“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.