SCHEMBL6777326

SCHEMBL6777326

Nc1cc(-c2ccc(C(F)(F)F)cc2)ccc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.44
TDP2 O95551 1/20 0.38
FEN1 P39748 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HDAC2 Q92769 1/20 0.35
MAP4K4 O95819 1/20 0.34

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
SCHEMBL3329979 0.89 KIF11 (0.41) KIF11TDP2MKNK1MKNK2HDAC2
SCHEMBL11357927 0.88 FEN1 (0.39) KIF11FEN1
SCHEMBL21856971 0.82 KDM4E (0.42)
SCHEMBL23916410 0.82 KIF11 (0.44) KIF11FEN1MKNK1MKNK2MAP4K4
SCHEMBL13298692 0.80 KIF11 (0.41) KIF11TDP2HDAC2MAP4K4
SCHEMBL704506 0.78 GFER (0.47) KIF11MKNK1MKNK2
SCHEMBL3584128 0.77 IKBKB (0.43) KIF11
SCHEMBL6771385 0.77 MKNK1 (0.44) MKNK1MKNK2MAP4K4
SCHEMBL6775919 0.76 DHFR (0.42)
SCHEMBL6781482 0.75 CHEK1 (0.40) HDAC2

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-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 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-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 KIF11 2445/4885TDP2 4150/4885FEN1 4824/4885

“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.