SCHEMBL601230

SCHEMBL601230

O=c1[nH]c(-c2cc(-c3ccc(C(F)(F)F)cc3)ncn2)no1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.63
RARB P10826 1/20 0.43
TRPV1 Q8NER1 2/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ALDH1A1 P00352 1/20 0.40
COMT P21964 1/20 0.40
NOTUM Q6P988 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
CNR1 P21554 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL601195 0.86 KMO (0.59) KMOALDH1A1NOTUMFAAH
SCHEMBL14667330 0.82 KMO (0.67) KMOALDH1A1
SCHEMBL18603149 0.81 RARB (0.60) RARBALDH1A1COMTNOTUMCNR1
SCHEMBL2289143 0.80 KMO (0.68) KMORARBALDH1A1
SCHEMBL18108 0.79 KMO (0.52) KMORARBALDH1A1CNR1
SCHEMBL2338601 0.78 KMO (0.45) KMORARBALDH1A1NOTUMMAPKAPK2
SCHEMBL4717327 0.78 ABL1 (0.57) TRPV1ABL1BCRFAAH
SCHEMBL2228681 0.77 KMO (1.00) KMOALDH1A1NOTUM
SCHEMBL603110 0.77 KMO (0.51) KMOALDH1A1NOTUMMAPKAPK2
SCHEMBL2282788 0.77 KMO (0.64) KMORARBALDH1A1

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
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS KMO 868/4885RARB 3593/4885TRPV1 3235/4885

“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.