SCHEMBL6775368

SCHEMBL6775368

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccc(-c2cccc3ccccc23)cc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
KDR P35968 2/20 0.34
RIPK1 Q13546 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC9A1 P19634 1/20 0.33
MCL1 Q07820 2/20 0.32
ACMSD Q8TDX5 1/20 0.32
DHODH Q02127 1/20 0.32
PARP1 P09874 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALOX15 P16050 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
BAD Q92934 1/20 0.31
MTOR P42345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL6770619 0.90 PARP1 (0.35) CNR2KDRPTGDR2PARP1RXFP1
SCHEMBL6775462 0.88 KIF11 (0.39) KDRPTGDR2DHODHPARP1RXFP1
SCHEMBL6775914 0.87 KIF11 (0.37) KDRPTGDR2DHODHPARP1
SCHEMBL31337135 0.86 GPR35 (0.34) KDRPTGDR2PARP1HTT
SCHEMBL6782022 0.86 GPR35 (0.34) KDRPTGDR2PARP1HTT
SCHEMBL6781865 0.85 MAP2K4 (0.39) KDRPTGDR2DHODHPARP1
SCHEMBL6776008 0.84 MAP4K4 (0.38) PTGDR2DHODHKDM4E
SCHEMBL31344596 0.84 RORC (0.35) KDRPTGDR2PARP1
SCHEMBL6776081 0.84 RORC (0.35) KDRPTGDR2PARP1
SCHEMBL6771095 0.83 NPBWR1 (0.34) KDRPTGDR2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP claimed
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
EP-0977741-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-02-09 EP disclosed
WO-1998047879-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-10-29 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-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 CNR2 306/4885KDR 1649/4885RIPK1 4789/4885

“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.