SCHEMBL2404084

SCHEMBL2404084

CC(=O)Nc1ncc(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
EPHX1 P07099 1/20 0.39
DYRK1A Q13627 3/20 0.38
SSTR4 P31391 1/20 0.38
PTGS2 P35354 1/20 0.38
DYRK1B Q9Y463 2/20 0.38
PIK3CA P42336 7/20 0.38
PTK2 Q05397 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
KDR P35968 1/20 0.36
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL17310500 0.86 ASPH (0.38) ALDH1A1SSTR4SMN1; SMN2KDM4EKDR
SCHEMBL21031175 0.83 ALDH1A1 (0.40) ALDH1A1SSTR4PIK3CAPTK2SMN1; SMN2
SCHEMBL15660587 0.81 AAK1 (0.41) SSTR4SMN1; SMN2KDR
SCHEMBL19814321 0.81 PIK3CA (0.43) ALDH1A1PIK3CAPTK2SMN1; SMN2KDM4E
SCHEMBL4098480 0.80 DYRK1A (0.42) ALDH1A1DYRK1ADYRK1BPTK2SMN1; SMN2
SCHEMBL24759973 0.79 ALDH1A1 (0.37) ALDH1A1PIK3CAPTK2SMN1; SMN2KDM4E
SCHEMBL23032585 0.79 ALDH1A1 (0.40) ALDH1A1DYRK1APIK3CAPTK2SMN1; SMN2
SCHEMBL11982873 0.79 DYRK1A (0.41) ALDH1A1DYRK1APTGS2DYRK1BPTK2
SCHEMBL14784188 0.79 TSHR (0.51) ALDH1A1SSTR4KDM4E
SCHEMBL14784933 0.78 HPGD (0.47) ALDH1A1SSTR4SMN1; SMN2L3MBTL1

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 6 patents. 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
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
CN-101801931-A Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors ALMIRALL LAB 2010-08-11 CN disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP 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 (2 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 ALDH1A1 82/4885EPHX1 156/4885DYRK1A 3606/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD ALDH1A1 82/4885EPHX1 156/4885DYRK1A 3606/4885

“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.