SCHEMBL623705

SCHEMBL623705

Cc1nn(C)c2sc(C(=O)N3CCN(c4cc(OCC(C)C)ncn4)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.45
MAPT P10636 6/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
USP2 O75604 3/20 0.45
CREBBP Q92793 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ESR1 P03372 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
TP53 P04637 4/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL624384 0.78 MEN1 (0.34) SMN1; SMN2TSHRALDH1A1HPGDLMNA
SCHEMBL623897 0.77 ALDH1A1 (0.35) SMN1; SMN2MAPTTSHRALDH1A1HPGD
SCHEMBL623703 0.77 HRH4 (0.54) MAPTTP53LMNA
SCHEMBL623239 0.76 ALDH1A1 (0.52) SMN1; SMN2MAPTTSHRALDH1A1LMNA
SCHEMBL622565 0.75 MGLL (0.43) SMN1; SMN2MAPTTSHRALDH1A1HPGD
SCHEMBL624214 0.75 PRLHR (0.40) MAPTTSHRALDH1A1HPGDHSD17B10
SCHEMBL622626 0.75 DRD2 (0.52) MAPTTSHRALDH1A1HPGDNPSR1
SCHEMBL624275 0.74 KDM4E (0.40) SMN1; SMN2MAPTALDH1A1NPSR1KDM4E
SCHEMBL623188 0.74 KCNT1 (0.40) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL623290 0.74 PSMB8 (0.40)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US claimed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G SMN1; SMN2 598/4885MAPT 3432/4885TSHR 1643/4885

“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.