SCHEMBL2258043

SCHEMBL2258043

CC(C)(O)c1ccc(-c2ccc(Cl)cc2)c2nc(N)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2253043 0.84 GAA (0.38) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL2253416 0.79 ALDH1A1 (0.44) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL2257773 0.76 KDM4E (0.41) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL5774204 0.76 ALDH1A1 (0.43) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL2252070 0.75 PDE10A (0.36) KDM4EHSD17B10MAPK1
SCHEMBL2351935 0.70 RAB9A (0.39) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL21886983 0.70 JAK2 (0.47) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL2271103 0.68 KDM4E (0.45) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL18971036 0.67 PSEN1 (0.39) HPGDALDH1A1KDM4EGAATHRB
SCHEMBL2251442 0.66 JAK2 (0.70) HPGDALDH1A1KDM4EGAAHSD17B10

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 8 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
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 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
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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 (2 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B HPGD 181/4885ALDH1A1 2136/4885KDM4E 4417/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 HPGD 170/4885ALDH1A1 1444/4885KDM4E 3666/4885

“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.