SCHEMBL5223142

SCHEMBL5223142

COc1ccc(-c2n[nH]cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
XDH P47989 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
Hydrochloric Acid SCHEMBL30879670 0.98 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDPTGS2
SCHEMBL13363877 0.86 ERBB2 (0.39) MEN1KMT2AHPGDNPC1MAPT
SCHEMBL6850964 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL15503669 0.81 KMT2A (0.53) MEN1KMT2AALDH1A1PTGS2KDM4E
SCHEMBL11963749 0.80 KDM4E (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3850635 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1HPGDPTGS2
SCHEMBL28318754 0.79 SCN5A (0.45) KDM4EL3MBTL1MAPTMAPK1GAA
SCHEMBL15741508 0.78 NPC1 (0.43) MEN1KMT2AALDH1A1PTGS2KDM4E
SCHEMBL3755589 0.78 IKBKB (0.41) HPGDKDM4ELMNATDP1L3MBTL1
SCHEMBL3160320 0.78 MAPK14 (0.42) MEN1KMT2AALDH1A1PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464642-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS BIOTECH CORP (JP) 2007-08-29 EP disclosed
US-7192906-B2 Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives SDS BIOTECH K.K. (JP) 2007-03-20 US disclosed
CN-1606546-A Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH CORP (JP) 2005-04-13 CN disclosed
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH K.K. (JP) 2005-01-20 US disclosed
EP-1464642-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS Biotech K.K. (JP) 2004-10-06 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-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 MEN1 4648/4885KMT2A 1205/4885ALDH1A1 296/4885

“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.