SCHEMBL4867705

SCHEMBL4867705

COCOc1ccc(N(F)C(=O)N2CCCCc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 6/20 0.49
MAPT P10636 6/20 0.49
AVPR2 P30518 3/20 0.48
AVPR1A P37288 1/20 0.48
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4871406 0.88 ALDH1A1 (0.49) ALDH1A1TSHRMAPTAVPR2AVPR1A
SCHEMBL4869514 0.88 MAPT (0.50) ALDH1A1TSHRMAPTAVPR2AVPR1A
SCHEMBL4871236 0.81 AVPR2 (0.54) ALDH1A1TSHRMAPTAVPR2AVPR1A
SCHEMBL4867692 0.75 MEN1 (0.54) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL4867674 0.73 MEN1 (0.56) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL4869507 0.73 MEN1 (0.54) ALDH1A1MAPTPOLBKDM4ELMNA
SCHEMBL4871393 0.73 TP53 (0.67) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9530206 0.71 NOTUM (0.62) ALDH1A1TSHRMAPTAVPR2AVPR1A
SCHEMBL4870675 0.70 MAPT (0.57) ALDH1A1MAPTPOLBHTTLMNA
SCHEMBL4868435 0.69 MAPT (0.56) ALDH1A1MAPTPOLBNPC1RAB9A

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 ALDH1A1 3990/4885TSHR 261/4885MAPT 3398/4885

“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.