SCHEMBL13326437

SCHEMBL13326437

CNC(=O)n1nc(Oc2ccc(C(F)(F)F)cc2N=O)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK14 Q16539 4/20 0.34
BRAF P15056 3/20 0.34
KDR P35968 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
RAF1 P04049 2/20 0.33
MAPT P10636 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13326043 0.90 MAPK14 (0.34) HTR2AMAPK14HPGDSMN1; SMN2HSD17B10
SCHEMBL13326035 0.89 PKM (0.33) HTR2AMAPK14BRAFKDRSMN1; SMN2
SCHEMBL13326430 0.89 NPSR1 (0.37) MAPK14HPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL13326427 0.87 CYP1A2 (0.35) MAPK14SMN1; SMN2RAF1MAPTMRGPRX4
SCHEMBL1531210 0.85 L3MBTL1 (0.43) HTR2ASLC6A4KCNH2MAPK14BRAF
SCHEMBL13325969 0.83 HPGD (0.34) HTR2AHPGDSMN1; SMN2HSD17B10HTR2C
SCHEMBL1531112 0.81 LMNA (0.46) HPGDSMN1; SMN2MAPTKDM4EPOLB
SCHEMBL13406278 0.81 HTR2A (0.33) HTR2AHTR2CHTR2BCYP2C9
SCHEMBL13406012 0.80 CYP1A2 (0.34) HTR2ASLC6A4KCNH2HPGDSMN1; SMN2
SCHEMBL13326040 0.74 ALOX15 (0.40) MAPK14SMN1; SMN2MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 HTR2A 4296/4885SLC6A4 2649/4885KCNH2 2294/4885

“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.