SCHEMBL12100030

SCHEMBL12100030

COc1cccc(O)c1C(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ SPR P35270 2/20 0.52
▸ APLNR P35414 1/20 0.51
▸ MGLL Q99685 6/20 0.49
▸ QDPR P09417 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ CCR1 P32246 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CCR2 P41597 1/20 0.44

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
SCHEMBL1808659 0.84 KMT2A (0.49) MEN1KMT2AMGLL
SCHEMBL1811171 0.72 EPHX2 (0.52) SPRMGLLALDH1A1
SCHEMBL19658652 0.71 QDPR (0.62) QDPRALDH1A1CCR1
SCHEMBL13385518 0.70 MGLL (0.71) MEN1KMT2AMGLLLMNACCR1
SCHEMBL16963363 0.69 CCR1 (0.57) LMNACCR1TP53
SCHEMBL2098866 0.69 HSD11B1 (0.58) LMNACCR1TP53
SCHEMBL7893825 0.69 GAA (0.80) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL17502641 0.69 HPGD (0.69) MEN1KMT2AALDH1A1LMNA
SCHEMBL1808107 0.69 HSD11B1 (0.47) MEN1KMT2AMGLL
SCHEMBL18058607 0.68 TRPV6 (0.62) MEN1KMT2AALDH1A1L3MBTL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B MEN1 4046/4885KMT2A 1032/4885SPR 1986/4885

“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.

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