SCHEMBL6933004

SCHEMBL6933004

NC(=O)N(c1cccc(C(F)(F)F)c1)c1cc(C(=O)O)c([N+](=O)[O-])cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MPO P05164 1/20 0.41
TTR P02766 2/20 0.39
PPOX P50336 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNMA1 Q12791 1/20 0.39
GRIK1 P39086 1/20 0.39
P2RX1 P51575 1/20 0.38
EIF4E P06730 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
FBP1 P09467 1/20 0.37

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
SCHEMBL8371717 0.81 P2RX1 (0.46) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7741945 0.81 MPO (0.54) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7608993 0.81 MPO (0.52) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7609217 0.81 MEN1 (0.50) KMT2AMEN1MPOGRIK1P2RX1
SCHEMBL27653560 0.79 KCNMA1 (0.42) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7612259 0.78 LMNA (0.44) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6440646 0.77 GRIK1 (0.44) LMNAMAPTHTTKMT2AMEN1
SCHEMBL7741946 0.77 KDM4E (0.49) AKR1C3AKR1C2KMT2AMEN1MPO
SCHEMBL7621277 0.77 MEN1 (0.41) AKR1C3AKR1C2LMNAKMT2AMEN1
SCHEMBL7487236 0.76 PLA2G10 (0.43) MAPTHTTKMT2AMEN1GRIK1

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-20040077634-A1 Treatment of diseases characterized by excessive or insufficient cell death NEUROSEARCH A/S (DK) 2004-04-22 US disclosed
US-6417393-B1 TREATMENT OF SICKLE-CELL ANEMIA, BRAIN EDEMA FROM TUMORS OR ISCHEMIA, DIARRHEA, AND GLAUCOMA; HYPOTENSIVE, WOUND HEALING, ANTIINFLAMMATORY AND ANTIALLERGEN AGENTS NEUROSEARCH A/S (DK) 2002-07-09 US disclosed
EP-0906273-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1999-04-07 EP disclosed
WO-1997045400-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-12-04 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-20040077634-A1 Treatment of diseases characterized by excessive or insufficient cell death APAF1, CASP9, AIFM1 AKR1B1 1805/4885AKR1C4 3778/4885AKR1C3 3186/4885

“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.