SCHEMBL2307585

SCHEMBL2307585

COc1ccc(Cl)cc1-c1csc(C2CCCCN2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CPT1A P50416 1/20 0.51
EPHA2 P29317 2/20 0.44
KDR P35968 2/20 0.44
EPHB4 P54760 2/20 0.44
ERBB2 P04626 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
BAZ2A Q9UIF9 1/20 0.40
ACP1 P24666 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
AGPAT2 O15120 5/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2307578 1.00 KDM4E (0.56) KDM4EALDH1A1CPT1AEPHA2KDR
SCHEMBL2305535 0.84 CYP19A1 (0.47) CPT1AEPHA2KDREPHB4ERBB2
SCHEMBL2305542 0.84 CYP19A1 (0.47) CPT1AEPHA2KDREPHB4ERBB2
SCHEMBL2308134 0.77 ALDH1A1 (0.48) KDM4EALDH1A1CPT1ASMN1; SMN2MAPT
SCHEMBL2308127 0.77 ALDH1A1 (0.48) KDM4EALDH1A1CPT1ASMN1; SMN2MAPT
SCHEMBL1915457 0.73 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPTTHRB
SCHEMBL2307812 0.72 CPT1A (0.69) KDM4EALDH1A1CPT1AEPHA2KDR
SCHEMBL2307818 0.72 CPT1A (0.69) KDM4EALDH1A1CPT1AEPHA2KDR
SCHEMBL2311715 0.69 RAB9A (0.45) KDM4EALDH1A1SMN1; SMN2BAZ2AMEN1
SCHEMBL2311719 0.69 RAB9A (0.45) KDM4EALDH1A1SMN1; SMN2BAZ2AMEN1

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
US-8039487-B2 Piperidine-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-2155738-B1 PIPERIDINE-AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-03 EP disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 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-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 KDM4E 1573/4885ALDH1A1 70/4885CPT1A 1/4885

“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.