SCHEMBL899441

SCHEMBL899441

CCOC(=O)c1c(-c2cc([N+](=O)[O-])ccc2OC)noc1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
PPARD Q03181 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
PRKCZ Q05513 1/20 0.42
GRK6 P43250 1/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 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
SCHEMBL12691857 0.88 KMT2A (0.53) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL899646 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAGRK6
SCHEMBL899656 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL899438 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL459409 0.79 GPBAR1 (0.60) ALDH1A1MAPTHPGDMAPK1
SCHEMBL20501792 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13615425 0.76 HTT (0.62) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2342376 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL899024 0.75 GHSR (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4941803 0.74 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1MAPTLMNA

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 MEN1 3660/4885KMT2A 548/4885ALDH1A1 2107/4885

“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.