SCHEMBL429047

SCHEMBL429047

COC(=O)c1ccc(C(=O)C=CC2CCCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C19 P33261 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SPR P35270 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL429046 1.00 MAPK1 (0.56) MAPK1KDM4EL3MBTL1PLA2G1BATG4B
SCHEMBL426997 0.75 PDCD1 (0.37) KDM4EALDH1A1
SCHEMBL426996 0.75 PDCD1 (0.37) KDM4EALDH1A1
SCHEMBL29508473 0.74 MAPK1 (1.00) MAPK1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL69747 0.74 MAPK1 (1.00) MAPK1KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL26984690 0.74 MAPK1 (0.68) MAPK1KDM4EL3MBTL1PLA2G1BATG4B
SCHEMBL16047520 0.71 MAPK1 (0.64) MAPK1KDM4EL3MBTL1PLA2G1BATG4B
SCHEMBL424093 0.71 MAPT (0.47) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL424092 0.71 MAPT (0.47) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL423045 0.71 MAPK1 (0.79) MAPK1KDM4EL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 MAPK1 761/4885KDM4E 3652/4885L3MBTL1 4869/4885

“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.