SCHEMBL12474252

SCHEMBL12474252

COC(=O)c1c(C)nnn1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
KCNN4 O15554 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
WNT3A P56704 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MYC P01106 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL497932 0.84 NPSR1 (0.45) PDE4BALDH1A1HTTNPSR1TP53
SCHEMBL12543895 0.84 PDE4B (0.45) PDE4BALDH1A1HTTKCNN4SMN1; SMN2
SCHEMBL28906183 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TP53NPC1HPGD
SCHEMBL28906175 0.76 ALDH1A1 (0.51) ALDH1A1HTTLMNA
SCHEMBL12530358 0.74 KCNN4 (0.44) PDE4BALDH1A1KCNN4SMN1; SMN2WNT3A
SCHEMBL17321554 0.72 MAPK1 (0.49) PDE4BALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL15881976 0.72 ALDH1A1 (0.46) PDE4BALDH1A1HTTKCNN4NPSR1
SCHEMBL16697431 0.71 SLC5A1 (0.46) ALDH1A1HTTSMN1; SMN2TP53NPC1
SCHEMBL16697637 0.71 GAA (0.43) ALDH1A1HTTSMN1; SMN2MAPK8
SCHEMBL16697590 0.70 GAA (0.49) ALDH1A1HTTNPSR1TP53HPGD

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
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
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 PDE4B 2133/4885ALDH1A1 2107/4885HTT 1860/4885

“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.