SCHEMBL6081605

SCHEMBL6081605

Cc1c(F)c(=O)oc2cc(F)c(NC(N)=O)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 2/20 0.43
▸ MAOB P27338 4/20 0.33
▸ MAOA P21397 3/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MIF P14174 1/20 0.30
▸ PFKFB3 Q16875 1/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL3063473 0.70 HSD17B3 (0.44) HSD17B3MAOBKDM4EHSD17B10GAA
SCHEMBL1147722 0.70 HSD17B3 (0.51) HSD17B3MAOAKDM4EHSD17B10GAA
SCHEMBL21379597 0.70 HSD17B3 (0.46) HSD17B3MAOBKDM4EHSD17B10GAA
SCHEMBL20957619 0.69 HSD17B3 (0.58) HSD17B3MAOAKDM4EHSD17B10GAA
SCHEMBL2454830 0.66 ALDH1A1 (0.50) HSD17B3MAOBKDM4EHSD17B10GAA
SCHEMBL25190307 0.65 HSD17B3 (0.42) HSD17B3MAOBKDM4EHSD17B10GAA
SCHEMBL4058366 0.64 RXFP1 (0.47) HSD17B3MAOBKDM4EHSD17B10GAA
SCHEMBL5154372 0.63 ALDH1A1 (0.48) MAOBMAOAALDH1A1SMN1; SMN2
SCHEMBL1095044 0.63 HSD17B3 (0.46) HSD17B3MAOBMAOAKDM4EHSD17B10
SCHEMBL11872682 0.62 HDAC1 (0.41) GAAALDH1A1SMN1; SMN2LMNAMAPK1

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-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 — — US disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 — — 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX HSD17B3 2223/4885MAOB 2522/4885MAOA 2881/4885

“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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