SCHEMBL463035

SCHEMBL463035

COc1ccc(C(=O)Nc2cc(N3CCN(C(=O)c4c(-c5ccccc5OC)noc4C)CC3)c(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL10087693 0.93 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL457864 0.93 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL458697 0.93 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL12457263 0.92 TSHR (0.54) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL470380 0.92 TSHR (0.50) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL470205 0.91 TSHR (0.54) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL457357 0.91 TSHR (0.53) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL459959 0.91 TSHR (0.53) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL10087680 0.91 TSHR (0.53) TSHRMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL12457262 0.91 TSHR (0.54) TSHRMAPK1LMNASMN1; SMN2NPSR1

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.