SCHEMBL1808441

SCHEMBL1808441

Cc1nn(C)c2sc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 2/20 0.57
TP53 P04637 1/20 0.55
MAPT P10636 5/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MGLL Q99685 1/20 0.51
HPGD P15428 5/20 0.49
HTT P42858 2/20 0.49
FPR2 P25090 2/20 0.49
PROKR1 Q8TCW9 2/20 0.49
HSD17B10 Q99714 2/20 0.48
CREBBP Q92793 2/20 0.48
USP2 O75604 2/20 0.48
ESR1 P03372 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL1810285 0.83 MEN1 (0.52) NPSR1SMN1; SMN2POLBTP53MAPT
SCHEMBL1807454 0.79 FPR2 (0.60) MAPTKDM4EFPR2PROKR1
SCHEMBL5789886 0.77 HRH1 (0.51) NPSR1SMN1; SMN2TP53MAPK1KDM4E
SCHEMBL1807305 0.77 KCNH2 (0.55) KDM4EALDH1A1FPR2PROKR1
SCHEMBL1807491 0.77 KCNH2 (0.46) ALDH1A1MGLLHTTFPR2PROKR1
SCHEMBL1806989 0.77 FPR2 (0.49) ALDH1A1FPR2PROKR1
SCHEMBL1810806 0.75 PROKR1 (0.60) POLBMAPTALDH1A1FPR2PROKR1
SCHEMBL1807243 0.75 ALDH1A1 (0.53) MAPK1ALDH1A1MGLLFPR2PROKR1
SCHEMBL1807949 0.74 FPR2 (0.48) TP53MAPTKDM4EFPR2PROKR1
SCHEMBL1810177 0.74 EPHX2 (0.44) ALDH1A1HTT

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 265/4885SMN1; SMN2 222/4885POLB 4291/4885

“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.