SCHEMBL1386085

SCHEMBL1386085

CCCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCc3ccccc3)C2)c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1381941 0.91 PKM (0.54) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4034713 0.88 ALDH1A1 (0.44) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4035745 0.87 MMP1 (0.40) MAPK1ALDH1A1GAA
SCHEMBL6209732 0.84 ALDH1A1 (0.45) MAPK1ALDH1A1HPGDMAPTPOLB
SCHEMBL4033608 0.81 ALOX15 (0.41) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6209492 0.81 ALOX15 (0.41) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4035414 0.78 MAPK1 (0.41) MAPK1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL4037876 0.78 ALDH1A1 (0.46) MAPK1ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL4033601 0.77 TP53 (0.40) MAPK1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL4032099 0.77 MAPK1 (0.55) MAPK1ALDH1A1HPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R MAPK1 3742/4885ALDH1A1 610/4885HPGD 745/4885

“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.