SCHEMBL899656

SCHEMBL899656

CCOC(=O)c1c(-c2cc(N)ccc2OC)noc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
MAPK10 P53779 1/20 0.45
HTT P42858 1/20 0.45
GHSR Q92847 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
PRKCZ Q05513 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL12691801 0.87 L3MBTL1 (0.46) ALDH1A1ATML3MBTL1MAPTHPGD
SCHEMBL459409 0.83 GPBAR1 (0.60) ALDH1A1GHSRGPBAR1NPC1MAPT
SCHEMBL899441 0.82 MEN1 (0.55) ALDH1A1GAAMAPK10HTTMEN1
SCHEMBL13615425 0.80 HTT (0.62) ALDH1A1GAAMAPK10HTTMEN1
SCHEMBL899450 0.79 POLB (0.56) ALDH1A1GAAHTTMEN1NPC1
SCHEMBL899024 0.78 GHSR (0.46) ALDH1A1GAAMAPK10HTTGHSR
SCHEMBL2345527 0.73 LMNA (0.60) ALDH1A1GAAHTTMEN1NPC1
SCHEMBL2775071 0.73 GAA (0.64) ALDH1A1GAAMAPK10HTTGPBAR1
SCHEMBL11893455 0.72 MAPT (0.61) ALDH1A1GAAHTTGPBAR1NPC1
SCHEMBL2922653 0.72 NPC1 (0.49) ALDH1A1GAAHTTGPBAR1MEN1

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-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A ALDH1A1 2107/4885GAA 4046/4885MAPK10 3696/4885

“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.