SCHEMBL899466

SCHEMBL899466

Cc1onc(-c2ccccc2O)c1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 3/20 0.60
LMNA P02545 6/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.56
EPAS1 Q99814 1/20 0.55
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.53
HIF1A Q16665 1/20 0.53
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL899616 0.88 TSHR (0.66) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL903127 0.86 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL899631 0.81 TSHR (0.54) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL899699 0.79 KDM4E (0.67) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL12691813 0.79 LMNA (0.59) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL12542926 0.78 TSHR (0.51) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL898786 0.78 TSHR (0.51) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL10082095 0.78 LMNA (0.58) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL10082093 0.78 LMNA (0.57) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL899528 0.77 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
EP-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
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 ALDH1A1 2107/4885TSHR 526/4885SMN1; SMN2 4569/4885

“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.