SCHEMBL2275176

SCHEMBL2275176

COc1ccc(-c2ccccc2)c2nc(Cl)sc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
ACACA Q13085 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 4/20 0.39
NQO2 P16083 1/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 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
SCHEMBL3052155 0.90 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AL3MBTL1HSD17B10
SCHEMBL2276159 0.82 CYP3A4 (0.49) ALDH1A1MEN1KMT2AL3MBTL1HSD17B10
SCHEMBL10723297 0.77 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL30189600 0.76 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL19782849 0.76 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL20597620 0.74 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL8510911 0.74 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1HSD17B10
SCHEMBL3047058 0.72 CYP3A4 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HSD17B10
SCHEMBL3047940 0.71 GAA (0.45) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL3055530 0.70 MAPT (0.56) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 ALDH1A1 1444/4885MEN1 2633/4885KMT2A 739/4885

“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.