SCHEMBL457334

SCHEMBL457334

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(NC(=O)c3cc(F)c(N4CCCC4)cc3F)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.40

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
SCHEMBL458063 0.92 TSHR (0.53) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL470386 0.91 TSHR (0.52) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL470387 0.90 TSHR (0.53) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL457864 0.88 TSHR (0.55) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL16478519 0.86 TSHR (0.58) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL12457262 0.86 TSHR (0.54) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL463035 0.86 TSHR (0.57) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL459382 0.85 TSHR (0.52) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL16478517 0.84 TSHR (0.56) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL10087693 0.84 TSHR (0.55) TSHRMAPK1ALDH1A1KDM4EGAA

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 10 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

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 1033/4885ALDH1A1 728/4885

“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.