SCHEMBL1812106

SCHEMBL1812106

O=C(c1ccc2ncccc2n1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PRKAA2 P54646 2/20 0.37

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
SCHEMBL1810013 0.87 PTK2 (0.57) SPRLMNAL3MBTL1PTK2SMN1; SMN2
SCHEMBL1807793 0.86 SMN1; SMN2 (0.54) SPRSMN1; SMN2MAPK1RAB9AKDM4E
SCHEMBL1806629 0.80 HRH3 (0.49) LMNAHTTEPHX2ALDH1A1
SCHEMBL1806791 0.80 PTK2 (0.42) LMNAPTK2PDE4BPDE4DSMN1; SMN2
SCHEMBL1809041 0.78 SCN9A (0.50) SCN9APRKAA2
SCHEMBL1811014 0.78 CCR3 (0.50) SPRLMNAL3MBTL1SMN1; SMN2MAPK1
SCHEMBL1809531 0.77 SPR (0.51) SPRLMNAL3MBTL1SMN1; SMN2EPHX2
SCHEMBL1810556 0.76 ALOX15 (0.49) SPRNAMPTMEN1KMT2AALDH1A1
SCHEMBL1806706 0.76 SPR (0.45) SPREPHX2
SCHEMBL1807212 0.76 KCNK3 (0.51) SPRSMN1; SMN2HTTEPHX2KDM4E

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 SPR 1986/4885LMNA 3683/4885L3MBTL1 3351/4885

“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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