SCHEMBL505335

SCHEMBL505335

O=C(O)c1ccc(-c2ccc(F)cc2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TTR P02766 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ACMSD Q8TDX5 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DHFR P00374 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
ALB P02768 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
CXCL12 P48061 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
BCL2L1 Q07817 2/20 0.48
BAD Q92934 2/20 0.48

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
SCHEMBL5571280 0.87 HSD17B10 (0.59) KDM4ETTRHSD17B10ACMSDMEN1
SCHEMBL30585141 0.87 BCL2L1 (0.52) KDM4ETTRHSD17B10ACMSDMEN1
SCHEMBL26639280 0.87 BCL2L1 (0.52) KDM4ETTRHSD17B10ACMSDMEN1
SCHEMBL5728666 0.86 HNF4A (0.48) KDM4EACMSDMEN1ALDH1A1LMNA
SCHEMBL9419340 0.85 SMN1; SMN2 (0.47) KDM4ETTRHSD17B10ACMSDMEN1
SCHEMBL9358502 0.83 SLC6A4 (0.51) KDM4ETTRHSD17B10ACMSDMEN1
SCHEMBL9419262 0.81 RAB9A (0.50) ALDH1A1CYP2C19
SCHEMBL9419243 0.81 SMN1; SMN2 (0.64) KDM4EMEN1ALDH1A1CA1CA2
SCHEMBL9419351 0.79 MCL1 (0.52)
SCHEMBL18873501 0.79 HSD17B10 (0.53) KDM4EHSD17B10USP2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD KDM4E 806/4885TTR 3466/4885HSD17B10 199/4885

“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.