SCHEMBL14453582

SCHEMBL14453582

CC(=O)NCCc1ccc(C(F)(F)F)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.47
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MTNR1B P49286 6/20 0.44
▸ MTNR1A P48039 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL14453681 0.85 CFTR (0.48) KDM4EHSD17B10ALDH1A1HPGDMTNR1B
SCHEMBL14453580 0.84 EPHX2 (0.49) DAORXRARXRBRXRGALDH1A1
SCHEMBL14453682 0.82 THRB (0.50) ALDH1A1HPGDMTNR1BMTNR1ANQO2
SCHEMBL6252876 0.81 MTNR1A (0.58) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL19263974 0.78 MTNR1A (0.58) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1008256 0.78 KDM4E (0.64) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL15175233 0.77 MTNR1A (0.47) KDM4EHSD17B10ALDH1A1HPGDMTNR1B
SCHEMBL14453586 0.77 GAA (0.50) DAORXRARXRBRXRGKDM4E
SCHEMBL17689393 0.76 CNR1 (0.61) KDM4EHSD17B10ALDH1A1HPGDMTNR1B
SCHEMBL14060046 0.76 RXRA (0.55) DAORXRARXRBRXRGKDM4E

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-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS DAO 2081/4885RXRA 1619/4885RXRB 1471/4885

“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.

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