SCHEMBL13325971

SCHEMBL13325971

CCc1c(Oc2ncc(C(F)(F)F)cc2C)n[nH]c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.36
PTGS2 P35354 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
DHODH Q02127 1/20 0.34
SSTR4 P31391 1/20 0.34
IKBKB O14920 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 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
SCHEMBL1531097 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL13326046 0.86 PTGS2 (0.35) AGBL2PTGS2CYP1A2CYP3A4CYP2C19
SCHEMBL13303524 0.84 GAA (0.39) PTGS2CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL13326422 0.83 DHODH (0.38) AGBL2PTGS2CYP1A2CYP3A4CYP2C19
SCHEMBL1531177 0.76 GABRB3 (0.38) CYP1A2CYP3A4CYP2C19DHODHIKBKB
SCHEMBL13325363 0.76 DRD1 (0.31)
SCHEMBL13325368 0.75 DHODH (0.38) AGBL2PTGS2CYP1A2CYP3A4CYP2C19
SCHEMBL13303527 0.74 ALDH1A1 (0.44) CYP1A2CYP2C19KMT2ALMNAALDH1A1
SCHEMBL1531085 0.72 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19KMT2AHPGD
SCHEMBL18312359 0.72 NPSR1 (0.47) AGBL2PTGS2CYP1A2CYP3A4CYP2C19

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 AGBL2 2404/4885PTGS2 1707/4885CYP1A2 45/4885

“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.