SCHEMBL898932

SCHEMBL898932

Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc(N)cc2Cl)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.71
HTT P42858 2/20 0.71
ALDH1A1 P00352 6/20 0.71
TSHR P16473 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAPK1 P28482 1/20 0.70
KDM4E B2RXH2 1/20 0.69
KMT2A Q03164 2/20 0.67
EPAS1 Q99814 1/20 0.66
MEN1 O00255 1/20 0.62
HIF1A Q16665 1/20 0.62
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GPBAR1 Q8TDU6 1/20 0.58

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
SCHEMBL457976 0.89 LMNA (0.70) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL903091 0.87 KDM4E (0.69) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL12691835 0.87 LMNA (0.69) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899570 0.85 LMNA (0.67) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL3541913 0.83 KMT2A (0.78) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL12691740 0.83 LMNA (0.67) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL17461660 0.83 KDM4E (0.67) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL30395007 0.82 KMT2A (0.79) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL27927962 0.82 LMNA (0.81) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL12311178 0.82 LMNA (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A LMNA 2527/4885HTT 1860/4885ALDH1A1 2107/4885

“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.