SCHEMBL13326422

SCHEMBL13326422

Cc1cc(C(F)(F)F)cnc1Oc1n[nH]c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
DRD1 P21728 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PTGS2 P35354 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL1531085 0.87 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19RAB9AKMT2A
SCHEMBL13325971 0.83 AGBL2 (0.36) DHODHCYP1A2CYP3A4CYP2C19IKBKB
SCHEMBL13325368 0.79 DHODH (0.38) DHODHCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL1531097 0.72 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19RAB9AKMT2A
SCHEMBL8427120 0.72 KMT2A (0.47) CYP1A2CYP3A4CYP2C19RAB9AAGBL2
SCHEMBL19055601 0.70 AGBL2 (0.44) CYP1A2CYP3A4CYP2C19AGBL2KMT2A
SCHEMBL13326046 0.70 PTGS2 (0.35) DHODHCYP1A2CYP3A4CYP2C19AGBL2
SCHEMBL23367904 0.70 SMN1; SMN2 (0.51) RAB9AKMT2AHPGDLMNASMN1; SMN2
SCHEMBL17055784 0.69 PTGS2 (0.52) CYP1A2CYP3A4CYP2C19RAB9AAGBL2
SCHEMBL18312359 0.69 NPSR1 (0.47) CYP1A2CYP3A4CYP2C19AGBL2KMT2A

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 DHODH 110/4885DRD1 1475/4885CYP1A2 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.