SCHEMBL3575936

SCHEMBL3575936

CCOC(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
PPARD Q03181 4/20 0.51
PPARA Q07869 4/20 0.51
PPARG P37231 3/20 0.51
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.47
HSD17B3 P37058 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL27599882 0.82 PPARD (0.52) PPARDPPARAPPARGHSD17B3SMN1; SMN2
SCHEMBL5717743 0.80 PPARD (0.47) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL16196902 0.79 PPARD (0.48) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL27233458 0.79 PPARD (0.42) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL13499422 0.78 CYP2C19 (0.52) CYP2C19POLBCYP2C9ALDH1A1MAPT
SCHEMBL27682431 0.77 PPARD (0.48) PPARDPPARAPPARGHSD17B3ALDH1A1
SCHEMBL26499325 0.76 PPARD (0.46) PPARDPPARAPPARGPOLBHSD17B3
SCHEMBL21434866 0.76 PPARD (0.42) PPARDPPARAPPARGHSD17B3
SCHEMBL21434868 0.76 PPARD (0.42) PPARDPPARAPPARGHSD17B3
SCHEMBL21434877 0.76 PPARD (0.42) PPARDPPARAPPARGHSD17B3

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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 CYP2C19 185/4885PPARD 697/4885PPARA 1276/4885

“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.