SCHEMBL459972

SCHEMBL459972

Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(NC(=O)c3ccc(N(C)C)cc3)c(Cl)cc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 6/20 0.58
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 2/20 0.54
EPAS1 Q99814 1/20 0.54
MEN1 O00255 1/20 0.52
HIF1A Q16665 1/20 0.52
GPBAR1 Q8TDU6 2/20 0.51
USP2 O75604 1/20 0.49
ACHE P22303 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL458542 0.85 TSHR (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL459046 0.85 TSHR (0.46) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL457012 0.84 TSHR (0.56) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL456714 0.84 TSHR (0.56) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL457910 0.84 TSHR (0.56) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL458697 0.83 TSHR (0.55) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL470385 0.83 TSHR (0.54) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL12273682 0.83 TSHR (0.54) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL10087683 0.82 TSHR (0.48) LMNAALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL12273423 0.82 LMNA (0.56) LMNAHTTALDH1A1TSHRSMN1; 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 10 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

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 LMNA 3608/4885HTT 2405/4885ALDH1A1 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.