SCHEMBL641038

SCHEMBL641038

NC(=O)COc1ccccc1-c1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PLA2G2A P14555 4/20 0.53
ALDH1A1 P00352 4/20 0.52
PDE6D O43924 2/20 0.52
ALDH2 P05091 1/20 0.52
ALDH3A1 P30838 1/20 0.52
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
BRD4 O60885 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.47
TNF P01375 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL2908237 0.86 HTT (0.58) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL639847 0.86 KDM4E (0.50) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2909757 0.85 KCNN4 (0.47) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2906933 0.84 NPSR1 (0.53) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL1482060 0.83 KDM4E (0.63) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2907443 0.83 TP53 (0.54) KDM4ESMN1; SMN2PLA2G2AALDH1A1PDE6D
SCHEMBL2907639 0.79 PLA2G2A (0.44) KDM4ESMN1; SMN2PLA2G2AALDH1A1NPSR1
SCHEMBL638902 0.77 NPSR1 (0.48) KDM4ECYP1A2CYP2C9CYP2C19PLA2G2A
SCHEMBL638894 0.77 NPSR1 (0.48) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL639087 0.76 NPSR1 (0.47) KDM4ECYP1A2CYP2C9CYP2C19PLA2G2A

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 KDM4E 1159/4885SMN1; SMN2 3190/4885CYP1A2 1276/4885

“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.