SCHEMBL459046

SCHEMBL459046

Cc1onc(-c2ccccc2O)c1C(=O)N1CCN(c2cc(NC(=O)c3ccc(N(C)C)cc3)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 2/20 0.43
EPAS1 Q99814 1/20 0.42
MEN1 O00255 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
GHSR Q92847 1/20 0.41
RAB9A P51151 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL458697 0.91 TSHR (0.55) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12273423 0.90 LMNA (0.56) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12273679 0.88 LMNA (0.49) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10087694 0.87 ALDH1A1 (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL459972 0.85 LMNA (0.58) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12457257 0.84 TSHR (0.52) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27931691 0.84 LMNA (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL463035 0.84 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL12457252 0.83 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10087680 0.83 TSHR (0.53) TSHRMAPK1ALDH1A1SMN1; SMN2LMNA

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 12 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
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN 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 1033/4885ALDH1A1 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.