SCHEMBL1482428

SCHEMBL1482428

COC(=O)CCc1ccc(Cn2c(-c3cccnc3Cl)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CCR9 P51686 2/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 2/20 0.40
P2RX3 P56373 2/20 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
SCHEMBL1482734 0.91 MAPT (0.42) MAPTNPSR1KDM4ECYP1A2CYP2C9
SCHEMBL1482727 0.85 MAPT (0.40) MAPTNPSR1KDM4ECYP1A2CYP2C9
SCHEMBL1482823 0.85 THRB (0.45) MAPTSMN1; SMN2LMNAALDH1A1THRB
SCHEMBL1482358 0.85 FFAR4 (0.41) MAPTKDM4ELMNAKMT2ACCR9
SCHEMBL1482689 0.84 FFAR4 (0.41) MAPTKDM4ELMNAKMT2ACCR9
SCHEMBL1482913 0.83 KDM4E (0.48) KDM4EKMT2ACCR9P2RX3
SCHEMBL1482665 0.82 KDM4E (0.47) KDM4EKMT2ACCR9P2RX3
SCHEMBL1484226 0.81 KDM4E (0.72) MAPTNPSR1KDM4ECYP1A2CYP2C9
SCHEMBL1483050 0.79 KDM4E (0.43) KDM4ECCR9P2RX3
SCHEMBL1483153 0.79 KDM4E (0.45) NPSR1KDM4ECYP1A2CYP2C9CYP2C19

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-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 MAPT 3349/4885NPSR1 1227/4885KDM4E 1791/4885

“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.