SCHEMBL6097030

SCHEMBL6097030

CC(=O)Nc1ccccc1Cc1ccc2oc(=O)cc(C(F)(F)F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.52
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 3/20 0.41
AR P10275 5/20 0.41
MCL1 Q07820 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B3 P37058 1/20 0.39

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
SCHEMBL6096993 0.79 KDM4E (0.48) ALDH1A1ARMCL1KDM4EGAA
SCHEMBL5756955 0.77 AR (0.55) ALDH1A1ARMCL1KDM4EGAA
SCHEMBL5758920 0.75 KMT2A (0.40) CA12CA9ALDH1A1ARMCL1
SCHEMBL5761672 0.73 MEN1 (0.47) ALDH1A1ARKDM4EGLAGAA
SCHEMBL6213700 0.71 MCL1 (0.48) MAP2K1ALDH1A1ARMCL1KDM4E
SCHEMBL5762510 0.71 NAMPT (0.44) ALDH1A1ARMCL1KDM4EGAA
SCHEMBL6110773 0.70 AR (0.49) AR
SCHEMBL5762902 0.70 PKM (0.54) ALDH1A1GAA
SCHEMBL5760140 0.70 MCL1 (0.47) MAP2K1ALDH1A1ARMCL1KDM4E
SCHEMBL6077813 0.69 MAP2K1 (0.50) MAP2K1CA12CA9ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115745-B2 Benzyl urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-10-03 US disclosed
EP-1597233-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-11-23 EP disclosed
US-20050107427-A1 Benzyl urea and thiourea derivatives DU DANIEL Y (US) 2005-05-19 US disclosed
WO-2004072043-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO 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-20050107427-A1 Benzyl urea and thiourea derivatives BRDT, TAS2R8, FSHR MAP2K1 3493/4885CA12 4133/4885CA9 3438/4885

“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.