SCHEMBL1810556

SCHEMBL1810556

COc1cc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.49
▸ SPR P35270 1/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ P2RY12 Q9H244 7/20 0.43
▸ MGLL Q99685 2/20 0.42
▸ APLNR P35414 2/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TACR3 P29371 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1809205 0.84 POLB (0.51) SPRMEN1KMT2A
SCHEMBL1808624 0.82 ALOX15 (0.51) ALOX15MEN1KMT2AP2RY12MGLL
SCHEMBL1807793 0.81 SMN1; SMN2 (0.54) SPRMEN1KMT2AMGLLALDH1A1
SCHEMBL1810013 0.80 PTK2 (0.57) ALOX15SPRMEN1KMT2AMGLL
SCHEMBL1809041 0.79 SCN9A (0.50) MGLL
SCHEMBL1812106 0.76 SPR (0.44) SPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL1808038 0.76 SPR (0.47) SPRMEN1KMT2AMGLLNAMPT
SCHEMBL1809531 0.76 SPR (0.51) SPRMEN1KMT2AMGLLNAMPT
SCHEMBL1810127 0.74 SCD5 (0.61) MEN1KMT2ATP53
SCHEMBL1809955 0.74 CCR3 (0.52) SPRMEN1KMT2AMGLLNAMPT

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 10 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 claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
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
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO 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 ALOX15 2862/4885SPR 1986/4885MEN1 4046/4885

“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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