SCHEMBL1808655

SCHEMBL1808655

O=C(c1csc(-c2ccccc2)n1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
HTR2C P28335 4/20 0.48
SPR P35270 1/20 0.48
TRPC3 Q13507 2/20 0.45
TRPC6 Q9Y210 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KDM4E B2RXH2 2/20 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
SCHEMBL1810127 0.80 SCD5 (0.61) MAPTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL1806982 0.80 CNR1 (0.58) NPSR1MAPTL3MBTL1NPY1RNPY2R
SCHEMBL1807793 0.77 SMN1; SMN2 (0.54) MAPTSPRKDM4EALDH1A1SMN1; SMN2
SCHEMBL17953075 0.76 PTGDR2 (0.54) TDP1HTR2CTLR7PTGDR2HTR3E
SCHEMBL1810013 0.76 PTK2 (0.57) MAPTL3MBTL1SPRKDM4EALDH1A1
SCHEMBL1809531 0.76 SPR (0.51) L3MBTL1SPRTRPC6ALDH1A1SMN1; SMN2
SCHEMBL3537970 0.75 HTR2C (0.64) HTR2CTLR7KCNH2SCN9AGAA
SCHEMBL12100401 0.75 SPR (0.50) L3MBTL1SPRALDH1A1MEN1LMNA
SCHEMBL2225857 0.75 HDAC1 (0.55) NPSR1TDP1MAPTATML3MBTL1
SCHEMBL3547467 0.75 HTR2C (0.63) TDP1MAPTATML3MBTL1HTR2C

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 NPSR1 265/4885TDP1 1606/4885MAPT 4090/4885

“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.