SCHEMBL1382909

SCHEMBL1382909

O=C(NCc1[c]scc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAOB P27338 1/20 0.49
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP3A4 P08684 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL2234126 0.84 HPGD (0.55) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL8987867 0.74 MEN1 (0.78) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL2400629 0.72 HPGD (0.74) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL9584535 0.72 CYP1A2 (0.78) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL3604498 0.71 MEN1 (0.48) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL5226231 0.70 HDAC6 (0.72) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL3363697 0.70 CYP1A2 (0.63) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL8372261 0.69 CYP1A2 (0.58) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL2832296 0.69 MAPT (0.72) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL9119912 0.69 RAB9A (0.71) MEN1KMT2ARAB9ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed

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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R MEN1 4821/4885KMT2A 396/4885RAB9A 4023/4885

“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.