SCHEMBL457381

SCHEMBL457381

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.48
EPAS1 Q99814 1/20 0.47
MEN1 O00255 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL457892 0.90 TSHR (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL470201 0.89 TSHR (0.71) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL459690 0.89 TSHR (0.70) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL10087681 0.88 ALDH1A1 (0.54) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL10087679 0.88 TSHR (0.69) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL10082091 0.87 TSHR (0.68) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL458030 0.87 TSHR (0.59) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL456716 0.86 TSHR (0.66) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL470370 0.86 TSHR (0.66) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL16478519 0.85 TSHR (0.58) TSHRMAPK1LMNASMN1; SMN2ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 TSHR 325/4885MAPK1 1033/4885LMNA 3608/4885

“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.