SCHEMBL470234

SCHEMBL470234

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2nc(N)c(Cl)cc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
MAPK1 P28482 1/20 0.65
LMNA P02545 7/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
TP53 P04637 1/20 0.48
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.47

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
SCHEMBL458030 0.90 TSHR (0.59) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL470201 0.85 TSHR (0.71) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL899616 0.85 TSHR (0.66) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL459690 0.83 TSHR (0.70) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL470230 0.83 TSHR (0.70) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL10087679 0.82 TSHR (0.69) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL470370 0.80 TSHR (0.66) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL456716 0.80 TSHR (0.66) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL12273645 0.80 TSHR (0.66) TSHRMAPK1LMNAHTTALDH1A1
SCHEMBL470168 0.79 TSHR (0.65) TSHRMAPK1LMNAHTTALDH1A1

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 6 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
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

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.