SCHEMBL1811543

SCHEMBL1811543

Cc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccc4cccnc34)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ CHRM2 P08172 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ CCR3 P51677 2/20 0.46

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
SCHEMBL1811014 0.89 CCR3 (0.50) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL1807902 0.84 HTR2A (0.50) TDP1HCRTR1HCRTR2HTR2AHTR2C
SCHEMBL14777731 0.83 KMT2A (0.55) TDP1ALDH1A1LMNAMAPTHTT
SCHEMBL1809428 0.81 HTR2A (0.51) MAPTHTTSMN1; SMN2HTR2AHTR2C
SCHEMBL1809658 0.79 SLC40A1 (0.51) ALDH1A1HCRTR1HCRTR2HTR2AHTR2C
SCHEMBL16003034 0.76 HTR2A (0.53) KDM4EHCRTR1HCRTR2HTR2AHTR2C
SCHEMBL13826105 0.74 CHRM2 (0.54) HCRTR1HCRTR2HTR2AHTR2CCHRM2
SCHEMBL6986212 0.74 MAPT (0.59) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL14777810 0.73 HCRTR1 (0.53) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL14778174 0.72 GAA (0.54) TDP1ALDH1A1MAPTKDM4EHCRTR1

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 TDP1 1606/4885ALDH1A1 787/4885LMNA 3683/4885

“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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