SCHEMBL638902

SCHEMBL638902

NC(=O)COc1ccccc1-c1nc2cc(Cl)ccc2n1Cc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 5/20 0.46
PLA2G2A P14555 5/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RCE1 Q9Y256 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL638894 0.91 NPSR1 (0.48) NPSR1ALDH1A1GAARECQLKMT2A
SCHEMBL2906933 0.85 NPSR1 (0.53) NPSR1ALDH1A1GAARECQLKMT2A
SCHEMBL639087 0.84 NPSR1 (0.47) NPSR1ALDH1A1GAARECQLPLA2G2A
SCHEMBL2907443 0.84 TP53 (0.54) NPSR1ALDH1A1GAARECQLKMT2A
SCHEMBL639847 0.79 KDM4E (0.50) NPSR1ALDH1A1GAARECQLKMT2A
SCHEMBL2909757 0.78 KCNN4 (0.47) NPSR1ALDH1A1GAARECQLKMT2A
SCHEMBL640699 0.78 PLA2G2A (0.41) NPSR1ALDH1A1GAARECQLPLA2G2A
SCHEMBL641038 0.77 KDM4E (0.56) NPSR1ALDH1A1KMT2APLA2G2ACYP1A2
SCHEMBL638729 0.77 PLA2G2A (0.43) NPSR1KMT2APLA2G2AMEN1HTT
SCHEMBL638972 0.75 BRD4 (0.41) NPSR1KMT2APLA2G2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US claimed
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

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 NPSR1 2609/4885ALDH1A1 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.