SCHEMBL1482479

SCHEMBL1482479

COC(=O)c1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
TBXA2R P21731 5/20 0.47
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CFTR P13569 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
RORC P51449 1/20 0.41
PKM P14618 2/20 0.40
RHEB Q15382 1/20 0.40
GAA P10253 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
SCHEMBL1482767 0.93 DRD2 (0.45) DRD2TBXA2RTP53THRBSMN1; SMN2
SCHEMBL1482308 0.91 RHEB (0.48) TP53SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL1482791 0.87 HTT (0.47) TP53SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL1483047 0.85 KDM4E (0.42) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1482614 0.85 RHEB (0.47) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1482634 0.85 NR1H4 (0.42) SMN1; SMN2MAPTALDH1A1HTTRORC
SCHEMBL1482636 0.84 DRD2 (0.52) DRD2TBXA2RTP53CFTR
SCHEMBL1482823 0.82 THRB (0.45) TP53THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL1482532 0.81 TSHR (0.39) MAPT
SCHEMBL1482947 0.80 S1PR1 (0.40) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19

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 4 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
EP-2483247-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-08 EP disclosed
WO-2011039130-A1 NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-07 WO 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 DRD2 1464/4885TBXA2R 92/4885TP53 1762/4885

“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.