SCHEMBL899438

SCHEMBL899438

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)noc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
AR P10275 6/20 0.56
PRKCZ Q05513 1/20 0.53
MAPK1 P28482 3/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
PTBP1 P26599 1/20 0.47

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
SCHEMBL20501792 0.86 MEN1 (0.61) MEN1KMT2AMAPK1POLBALOX15
SCHEMBL2296278 0.85 PTGS1 (0.57) MEN1KMT2AARPRKCZMAPK1
SCHEMBL2923610 0.84 ATM (0.64) MEN1KMT2AMAPK1POLBALOX15
SCHEMBL6709729 0.84 MEN1 (0.51) MEN1KMT2AMAPK1POLBALOX15
SCHEMBL12691857 0.83 KMT2A (0.53) MEN1KMT2AARPRKCZMAPK1
SCHEMBL3294932 0.83 POLB (0.57) MEN1KMT2AMAPK1POLBALOX15
SCHEMBL7763901 0.83 KMT2A (0.51) MEN1KMT2AMAPK1POLBTSHR
SCHEMBL13674 0.82 CACNA1F (0.62) MEN1KMT2AMAPK1POLBALOX15
SCHEMBL2776267 0.82 TSHR (0.70) MEN1KMT2AMAPK1POLBALOX15
SCHEMBL14583 0.82 POLB (0.56) MEN1KMT2AMAPK1POLBALOX15

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 4 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
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 548/4885AR 2060/4885

“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.