SCHEMBL2276159

SCHEMBL2276159

COc1ccc(-c2ccccc2)c2nc(N)sc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
ADORA1 P30542 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3047058 0.90 CYP3A4 (0.51) CYP3A4TDP1ALDH1A1KDM4ELMNA
SCHEMBL2275176 0.82 ALDH1A1 (0.66) TDP1ALDH1A1KDM4ELMNAGAA
SCHEMBL4919115 0.81 SMN1; SMN2 (0.44) CYP3A4ALDH1A1KDM4ELMNAGAA
SCHEMBL4128905 0.80 ALDH1A1 (0.61) CYP3A4TDP1ALDH1A1KDM4ELMNA
SCHEMBL3046443 0.78 CYP3A4 (0.51) CYP3A4TDP1ALDH1A1KDM4ELMNA
SCHEMBL1040556 0.77 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1GAAADORA1
SCHEMBL3053214 0.76 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1ADORA1SMN1; SMN2
SCHEMBL30189863 0.76 CYP3A4 (0.56) CYP3A4TDP1ALDH1A1KDM4ELMNA
SCHEMBL18416893 0.76 CYP3A4 (0.56) CYP3A4TDP1ALDH1A1KDM4ELMNA
SCHEMBL5559757 0.75 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1KDM4ELMNA

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 CYP3A4 3281/4885TDP1 998/4885ALDH1A1 1444/4885

“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.