SCHEMBL902963

SCHEMBL902963

Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 5/20 0.63
TSHR P16473 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPK1 P28482 1/20 0.63
KDM4E B2RXH2 1/20 0.61
KMT2A Q03164 2/20 0.59
EPAS1 Q99814 1/20 0.59
MEN1 O00255 1/20 0.56
HIF1A Q16665 1/20 0.56
RAB9A P51151 1/20 0.55
USP2 O75604 1/20 0.54
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52

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
SCHEMBL899570 0.94 LMNA (0.67) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL903133 0.92 LMNA (0.65) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL898748 0.90 LMNA (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL10082093 0.87 LMNA (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899632 0.87 LMNA (0.57) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL12691835 0.87 LMNA (0.69) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL1225222 0.87 LMNA (0.78) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL898997 0.85 LMNA (0.58) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL899746 0.85 LMNA (0.55) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL12691740 0.85 LMNA (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.