SCHEMBL91498

SCHEMBL91498

CCCCOc1cccc(-c2cc(C(=O)NCC(=O)O)n[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.47
NR1H4 Q96RI1 2/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
DHODH Q02127 2/20 0.44
EGLN1 Q9GZT9 1/20 0.43
NR4A2 P43354 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL93105 0.86 DHODH (0.52) PLA2G4BNR1H4DHODHNR4A2MAPT
SCHEMBL69174 0.84 SPHK2 (0.48) NR1H4NR4A2SMPD1
SCHEMBL13282295 0.80 PTGDR2 (0.47) ALDH1A1KDM4EHPGDFAAH
SCHEMBL69243 0.79 RAB9A (0.50) ALDH1A1LMNAEGLN1MAPTSMN1; SMN2
SCHEMBL70239 0.77 JAK2 (0.47) NR1H4ALDH1A1DHODHMAPTMEN1
SCHEMBL92215 0.77 CYP2D6 (0.39) MEN1KMT2A
SCHEMBL28391446 0.75 SMPD1 (0.61) KDM4ESMN1; SMN2SMPD1
SCHEMBL19442587 0.74 NPC1 (0.41) LMNAGAASMN1; SMN2
SCHEMBL71764 0.73 EGLN3 (0.49) ALDH1A1EGLN1KMT2ASMN1; SMN2
SCHEMBL70557 0.72 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PLA2G4B 806/4885NR1H4 778/4885ALDH1A1 784/4885

“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.