SCHEMBL6077993

SCHEMBL6077993

Cn1c(=O)cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
AR P10275 11/20 0.48
PGR P06401 5/20 0.48
F2RL3 Q96RI0 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
F2R P25116 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL17576255 0.81 MAPT (0.63) MAPTF2RL3MEN1LMNAF2R
SCHEMBL20568611 0.79 MAPT (0.57) MAPTF2RL3MEN1LMNAF2R
SCHEMBL31169742 0.79 MAPT (0.57) MAPTF2RL3MEN1LMNAF2R
SCHEMBL155568 0.78 MAPT (0.83) MAPTF2RL3MEN1LMNAF2R
SCHEMBL30600488 0.78 MAPT (0.83) MAPTF2RL3MEN1LMNAF2R
SCHEMBL21957297 0.77 AR (0.50) ARPGR
SCHEMBL23610702 0.77 MAPT (0.51) MAPTF2RL3MEN1LMNAF2R
SCHEMBL21978549 0.76 AR (0.49) ARPGR
SCHEMBL6077653 0.76 AR (0.52) ARPGRMEN1KMT2ANPSR1
SCHEMBL20568458 0.75 MAPT (0.52) MAPTF2RL3MEN1LMNAF2R

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-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 US disclosed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX MAPT 878/4885AR 25/4885PGR 1108/4885

“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.