SCHEMBL4254538

SCHEMBL4254538

CCCc1cc(C=O)nn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
P2RX7 Q99572 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.38
STAT1 P42224 1/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.35
FCGR1A P12314 1/20 0.35

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
SCHEMBL3300596 0.82 KCNH2 (0.52) ALDH1A1LMNAKDM4CGAA
SCHEMBL3236666 0.78 ALDH1A1 (0.47) ALDH1A1LMNAKDM4CCNR1CNR2
SCHEMBL4704374 0.77 TSHR (0.44) ALDH1A1LMNAKDM4CHTTSTAT1
SCHEMBL2517751 0.77 MAPK1 (0.51) LMNAKDM4CP2RX7HTTMAPK1
SCHEMBL3234769 0.76 ALDH1A1 (0.51) ALDH1A1LMNAKDM4CCNR1CNR2
SCHEMBL23401034 0.76 USP2 (0.51) ALDH1A1LMNAKDM4CCNR1CNR2
Methylene Chloride SCHEMBL6533812 0.75 MAPK1 (0.47) ALDH1A1LMNAKDM4CP2RX7HTT
SCHEMBL27795106 0.74 LMNA (0.49) ALDH1A1LMNAKDM4CCNR1CNR2
SCHEMBL5106402 0.73 P2RX7 (0.43) ALDH1A1LMNAKDM4CP2RX7HTT
SCHEMBL14108176 0.73 CYP1A2 (0.56) ALDH1A1LMNAKDM4CP2RX7HTT

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-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H ALDH1A1 2701/4885LMNA 1425/4885KDM4C 2903/4885

“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.