SCHEMBL15401320

SCHEMBL15401320

COc1cccc(-c2ncc(Nc3c(C)cccc3C(=O)O)cc2C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.73
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL468508 0.84 DHODH (1.00) DHODH
SCHEMBL468469 0.83 DHODH (0.68) DHODHMEN1PKMMAPK1HTT
SCHEMBL15401318 0.80 DHODH (0.64) DHODHMEN1PKMMAPK1HTT
SCHEMBL2404647 0.79 DHODH (0.59) DHODHMEN1PKMMAPK1HTT
SCHEMBL468419 0.79 DHODH (1.00) DHODH
SCHEMBL3666606 0.79 DHODH (0.87) DHODH
SCHEMBL468612 0.79 DHODH (0.72) DHODHMEN1PKMMAPK1HTT
SCHEMBL2824205 0.77 DHODH (0.70) DHODHMEN1KMT2A
SCHEMBL468526 0.77 DHODH (1.00) DHODH
SCHEMBL468516 0.76 DHODH (0.65) DHODH

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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885MEN1 4484/4885PKM 3063/4885

“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.