SCHEMBL899646

SCHEMBL899646

COc1ccc([N+](=O)[O-])cc1-c1noc(C)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 1/20 0.46
GRK6 P43250 1/20 0.44
TTR P02766 1/20 0.44
POLB P06746 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
HTT P42858 3/20 0.41
AKR1C3 P42330 1/20 0.41
PKM P14618 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
SCHEMBL899441 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1GRK6LMNA
SCHEMBL12691798 0.85 KMT2A (0.45) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL899594 0.81 TSHR (0.47) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL457431 0.77 GPBAR1 (0.62) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL7763901 0.77 KMT2A (0.51) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL10727028 0.77 GRK6 (0.52) MEN1KMT2AALDH1A1GRK6TTR
SCHEMBL1903461 0.77 TDP1 (0.48) ALDH1A1POLBTDP1LMNAHTT
SCHEMBL20501599 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL25309531 0.75 KMT2A (0.49) MEN1KMT2AALDH1A1GRK6TTR
SCHEMBL4344964 0.74 KDM4E (0.53) MEN1KMT2AALDH1A1POLBLMNA

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
US-8722710-B2 Deuterium-enriched pioglitazone DEUTERX, LLC (US) 2014-05-13 US disclosed
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

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.