SCHEMBL470385

SCHEMBL470385

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(NC(=O)c3ccc(N(C)C)cc3)c(/C=N/O)cc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
KMT2A Q03164 3/20 0.42
GHSR Q92847 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.40
MEN1 O00255 2/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 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
SCHEMBL12273682 1.00 TSHR (0.54) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL456714 0.93 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL457910 0.92 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL458542 0.88 TSHR (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL27931614 0.88 GPBAR1 (0.45) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL457012 0.87 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL458697 0.86 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL470242 0.83 TSHR (0.49) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL459972 0.83 LMNA (0.58) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL10087683 0.81 TSHR (0.48) TSHRMAPK1LMNASMN1; SMN2ALDH1A1

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
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 1033/4885LMNA 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.