SCHEMBL1482791

SCHEMBL1482791

COc1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 4/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
CNR2 P34972 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DCTPP1 Q9H773 2/20 0.43
POLB P06746 1/20 0.42
CNR1 P21554 1/20 0.41
CSF1R P07333 2/20 0.41
BRD4 O60885 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1482654 0.92 DCTPP1 (0.42) HTTSMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL1483667 0.88 KDM4E (0.39) SMN1; SMN2MAPTKDM4ECYP1A2CYP2C9
SCHEMBL1483047 0.88 KDM4E (0.42) SMN1; SMN2NPSR1KDM4ECNR2CYP1A2
SCHEMBL1482823 0.87 THRB (0.45) HTTSMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL1482479 0.87 DRD2 (0.47) HTTSMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL1482308 0.86 RHEB (0.48) SMN1; SMN2TP53MAPTNPSR1KDM4E
SCHEMBL1482674 0.83 GHSR (0.42) CNR2
SCHEMBL1482508 0.83 KDM4E (0.48) SMN1; SMN2ALDH1A1TP53MAPTNPSR1
SCHEMBL1482947 0.82 S1PR1 (0.40) SMN1; SMN2NPSR1KDM4ECYP1A2CYP2C9
SCHEMBL1482532 0.81 TSHR (0.39) MAPTNPSR1

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-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US 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 HTT 4057/4885SMN1; SMN2 2816/4885ALDH1A1 187/4885

“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.