SCHEMBL898997

SCHEMBL898997

Cc1onc(-c2ccccc2C(=O)O)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 6/20 0.55
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
EPAS1 Q99814 1/20 0.51
MEN1 O00255 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A9 P48067 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL899746 0.93 LMNA (0.55) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899914 0.92 LMNA (0.54) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899570 0.91 LMNA (0.67) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899823 0.91 TSHR (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL898748 0.90 LMNA (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899632 0.90 LMNA (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL10082093 0.90 LMNA (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
Nucleozin SCHEMBL1225006 0.89 NPC1 (0.61) LMNAHTTALDH1A1TSHRSMN1; SMN2
Nucleozin SCHEMBL29360670 0.89 NPC1 (0.61) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL10082091 0.87 TSHR (0.68) LMNAHTTALDH1A1TSHRSMN1; SMN2

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 7 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
CN-103209977-A Novel piperazine analogs with substituted heteroaryl groups as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-17 CN 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
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 LMNA 2527/4885HTT 1860/4885ALDH1A1 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.