SCHEMBL5514729

SCHEMBL5514729

O=COC1CCCC1C(=O)Nc1c(F)cc(-c2ccccc2Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.50
CYP2C19 P33261 1/20 0.37
NR4A2 P43354 1/20 0.37
ABL1 P00519 3/20 0.36
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL5509546 0.84 DHODH (0.52) DHODHNR4A2ALDH1A1MEN1KMT2A
SCHEMBL5514725 0.84 DHODH (0.57) DHODHCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5512655 0.79 DHODH (0.56) DHODHCYP2C19ERN1MEN1KMT2A
SCHEMBL5509137 0.75 DHODH (0.55) DHODHNR4A2
SCHEMBL5519146 0.72 RAB9A (0.61) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL12127383 0.70 DHODH (0.54) DHODHNR4A2ERN1ALDH1A1MEN1
SCHEMBL12127500 0.69 DHODH (0.53) DHODHNR4A2ERN1ALDH1A1MEN1
SCHEMBL367815 0.69 GRM4 (0.63) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL5509544 0.69 DHODH (0.57) DHODHNR4A2ALDH1A1MEN1KMT2A
SCHEMBL5511055 0.69 DHODH (0.54) DHODHNR4A2

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-20070224672-A1 Method of Identifying Inhibitors of DHODH LEBAN JOHANN 2007-09-27 US disclosed
US-7247736-B2 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-07-24 US disclosed
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885CYP2C19 812/4885NR4A2 2196/4885

“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.