SCHEMBL4872532

SCHEMBL4872532

S=C(NCc1ccc(OCc2ccccc2)cc1Cl)N1CCCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
AVPR2 P30518 7/20 0.46
S1PR1 P21453 1/20 0.45
PRKX P51817 1/20 0.45
ACVR1 Q04771 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4867601 0.85 MAPT (0.50) AVPR2MAPTALDH1A1MEN1KMT2A
SCHEMBL4870063 0.82 GAA (0.49) THRBAVPR2MAPTALDH1A1MEN1
SCHEMBL4863095 0.81 MEN1 (0.53) THRBAVPR2MAPTALDH1A1MEN1
SCHEMBL4869697 0.78 TP53 (0.58) THRBAVPR2MAPTALDH1A1MEN1
SCHEMBL4865606 0.78 MEN1 (0.52) THRBMAPTMEN1KMT2APDK1
SCHEMBL4869536 0.75 KMT2A (0.59) AVPR2MAPTALDH1A1MEN1KMT2A
SCHEMBL4868428 0.75 THRB (0.64) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL4866044 0.74 GAA (0.48) THRBAVPR2MAPTALDH1A1MEN1
SCHEMBL4868521 0.74 TP53 (0.63) THRBMAPTTP53
SCHEMBL15876088 0.72 S1PR1 (0.60) S1PR1PRKXACVR1S1PR5ALDH1A1

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 THRB 1930/4885AVPR2 124/4885S1PR1 2362/4885

“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.