SCHEMBL6439623

SCHEMBL6439623

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.63
MTOR P42345 1/20 0.60
EPHX2 P34913 3/20 0.59
MPO P05164 1/20 0.57
BAZ1A Q9NRL2 1/20 0.53
HTT P42858 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNK2 O95069 1/20 0.52
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL1462324 0.86 GRIK1 (0.82) GRIK1MTORMPOHTTRAB9A
SCHEMBL6440422 0.85 GRIK1 (0.62) GRIK1MTOREPHX2MPOBAZ1A
SCHEMBL6438522 0.85 GRIK1 (0.81) GRIK1EPHX2MPOMEN1KMT2A
SCHEMBL5809373 0.81 EPHX2 (0.85) MTOREPHX2BAZ1AHTTRAB9A
SCHEMBL22524990 0.79 KCNK2 (0.59) GRIK1MPORAB9ANPC1KMT2A
SCHEMBL5468541 0.78 GRIK1 (0.81) GRIK1MPOHTTRAB9AMEN1
SCHEMBL6439621 0.78 GRIK1 (0.63) GRIK1MPOHTTRAB9ANPC1
SCHEMBL6430905 0.77 GRIK1 (1.00) GRIK1MEN1KMT2A
SCHEMBL28729179 0.77 EPHX2 (1.00) MTOREPHX2BAZ1AHTTRAB9A
SCHEMBL11003408 0.77 EPHX2 (1.00) MTOREPHX2BAZ1AHTTRAB9A

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
EP-1514867-A2 Substituted phenyl derivatives, their preparation and use NeuroSearch A/S (DK) 2005-03-16 EP disclosed
US-6706749-B2 CHLORIDE CHANNEL BLOCKERS; USEFUL IN THE TREATMENT OF SICKLE CELL ANAEMIA, BRAIN EDEMA FOLLOWING ISCAEMIA OR TUMORS, DIARRHEA, HYPERTENSION, BONE METABOLIC DISORDERS, OSTEOCLAST ASSOCIATED DISODERS; SUBSTITUTED BIPHENYL CONTAINING NITROGEN NEUROSEARCH A/S (DK) 2004-03-16 US disclosed
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
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-20020032210-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-14 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 (2 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-20020032210-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNB2, KCNH2 GRIK1 1018/4885MTOR 2862/4885EPHX2 2676/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 GRIK1 745/4885MTOR 2834/4885EPHX2 2740/4885

“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.