SCHEMBL1482485

SCHEMBL1482485

N#Cc1ccc(OCc2ccccc2C(=O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.47
FFAR1 O14842 1/20 0.47
MAOB P27338 1/20 0.47
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
NPC1 O15118 1/20 0.45
NR4A2 P43354 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
TRPV4 Q9HBA0 1/20 0.43
FOLH1 Q04609 1/20 0.43
PARP15 Q460N3 1/20 0.43

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
SCHEMBL1481917 0.89 PARP10 (0.45) MRGPRX4FFAR1MAOBPARP10PARP14
SCHEMBL1482752 0.87 PARP10 (0.48) MRGPRX4FFAR1MAOBPARP10PARP14
SCHEMBL7914368 0.83 FFAR1 (0.60) FFAR1MAOB
SCHEMBL427002 0.78 MAOB (0.74) MRGPRX4MAOBNR4A2TRPV4
SCHEMBL4215754 0.77 NR4A2 (0.59) MRGPRX4NPC1NR4A2RAB9ATP53
SCHEMBL8678893 0.77 DAO (0.46) MRGPRX4FFAR1TRPV4FOLH1
SCHEMBL28984532 0.76 FOLH1 (0.40) MRGPRX4FOLH1
SCHEMBL11600649 0.76 MRGPRX4 (0.61) MRGPRX4NPC1NR4A2RAB9ATP53
SCHEMBL2113928 0.76 PTPN7 (0.49) FFAR1TRPV4
SCHEMBL8678079 0.75 FFAR1 (0.44) FFAR1FOLH1

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 MRGPRX4 650/4885FFAR1 1795/4885MAOB 367/4885

“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.