SCHEMBL5090667

SCHEMBL5090667

O=C1[C@H]2[C@@H]3C[C@@H](CN3C(=O)c3ccc(F)c(C(F)(F)F)c3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.54
MAPT P10636 3/20 0.32
CTSB P07858 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 3/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6212517 0.88 AR (0.57) ARMAPTCTSBALDH1A1LMNA
SCHEMBL6376932 0.88 AR (0.57) ARMAPTCTSBALDH1A1LMNA
SCHEMBL4219668 0.88 AR (0.57) ARMAPTCTSBALDH1A1LMNA
SCHEMBL14033476 0.87 AR (0.59) ARMAPTCTSBALDH1A1HTT
SCHEMBL4040446 0.87 AR (0.59) ARMAPTCTSBALDH1A1HTT
SCHEMBL7211213 0.86 AR (0.52) AR
SCHEMBL5088827 0.86 AR (0.52) AR
SCHEMBL4042740 0.85 AR (0.63) ARMAPTCTSBALDH1A1SMN1; SMN2
SCHEMBL4038981 0.85 AR (0.63) ARMAPTCTSBALDH1A1SMN1; SMN2
SCHEMBL4048739 0.85 AR (0.63) ARMAPTCTSBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 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 (3 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 AR 32/4885MAPT 4832/4885CTSB 4693/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MAPT 4504/4885CTSB 4427/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MAPT 4504/4885CTSB 4427/4885

“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.