SCHEMBL458030

SCHEMBL458030

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2nc(N)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
MAPK1 P28482 1/20 0.59
LMNA P02545 7/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
GPBAR1 Q8TDU6 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
SCHEMBL470234 0.90 TSHR (0.65) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL457381 0.87 TSHR (0.64) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL899616 0.82 TSHR (0.66) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL10082091 0.82 TSHR (0.68) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL899611 0.80 TSHR (0.57) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL457892 0.80 TSHR (0.57) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL16478519 0.79 TSHR (0.58) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL470201 0.79 TSHR (0.71) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL463035 0.78 TSHR (0.57) TSHRMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL470230 0.78 TSHR (0.70) TSHRMAPK1LMNAALDH1A1SMN1; 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 9 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-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.