SCHEMBL4871802

SCHEMBL4871802

COc1ccc(CNC(=O)N2CCCCc3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.76
MAPT P10636 3/20 0.67
ALDH1A1 P00352 3/20 0.66
LMNA P02545 4/20 0.62
TP53 P04637 5/20 0.61
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
NFKB1 P19838 1/20 0.60
MAOB P27338 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL4869645 0.89 LMNA (0.78) THRBMAPTALDH1A1LMNATP53
SCHEMBL4871283 0.88 MAPT (0.62) THRBMAPTALDH1A1LMNATP53
SCHEMBL4865168 0.88 TP53 (0.71) THRBMAPTLMNATP53SMN1; SMN2
SCHEMBL4863797 0.87 POLB (0.65) THRBMAPTLMNATP53RAB9A
SCHEMBL4868428 0.86 THRB (0.64) THRBMAPTALDH1A1LMNATP53
SCHEMBL4868734 0.85 TP53 (0.62) THRBMAPTLMNATP53SMN1; SMN2
SCHEMBL4868521 0.85 TP53 (0.63) THRBMAPTLMNATP53
SCHEMBL4870794 0.85 MAPT (0.61) THRBMAPTALDH1A1LMNATP53
SCHEMBL4870033 0.84 MAPT (0.93) THRBMAPTALDH1A1LMNATP53
SCHEMBL4869441 0.84 TP53 (0.61) THRBMAPTALDH1A1LMNATP53

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-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 claimed
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 1930/4885MAPT 3398/4885ALDH1A1 3990/4885

“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.