SCHEMBL15401318

SCHEMBL15401318

COc1cccc(-c2ncc(NCc3ccccc3C(=O)O)cc2C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.64
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
DGAT2 Q96PD7 2/20 0.44
VDR P11473 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 1/20 0.42
CYP1A2 P05177 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 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
SCHEMBL15401320 0.80 DHODH (0.73) DHODHKMT2ALMNAHSD17B10CYP1A2
SCHEMBL468508 0.78 DHODH (1.00) DHODH
SCHEMBL468419 0.74 DHODH (1.00) DHODH
SCHEMBL3666606 0.74 DHODH (0.87) DHODH
SCHEMBL468584 0.71 DHODH (0.81) DHODHKDM4EALDH1A1
SCHEMBL3664593 0.71 DHODH (0.87) DHODH
SCHEMBL2403940 0.69 DHODH (0.52) DHODHKMT2ALMNAHSD17B10TDP1
SCHEMBL28598216 0.69 PGR (0.59) DHODHLMNAHSD17B10TDP1KDM4E
SCHEMBL2352632 0.69 DYRK1A (0.53) KMT2ALMNACYP1A2HTTKDM4E
SCHEMBL468526 0.69 DHODH (1.00) 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 1/4885ABL1 1628/4885SRC 3530/4885

“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.