SCHEMBL6440422

SCHEMBL6440422

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.62
MPO P05164 1/20 0.58
EPHX2 P34913 2/20 0.58
KDM1A O60341 1/20 0.57
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
KCNK2 O95069 1/20 0.53
KCNK10 P57789 1/20 0.53
RAB9A P51151 2/20 0.52
BAZ1A Q9NRL2 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
MTOR P42345 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
AKR1C3 P42330 1/20 0.50

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
SCHEMBL5950264 0.90 GRIK1 (0.65) GRIK1MPOKDM1AALDH1A1GAA
SCHEMBL1463277 0.86 GRIK1 (0.82) GRIK1MPOALDH1A1RAB9AMEN1
SCHEMBL6439623 0.85 GRIK1 (0.63) GRIK1MPOEPHX2KCNK2RAB9A
SCHEMBL6438522 0.84 GRIK1 (0.81) GRIK1MPOEPHX2KCNK2KCNK10
SCHEMBL6351486 0.84 KCNK2 (0.73) MPOKDM1AALDH1A1KCNK2KCNK10
SCHEMBL5950315 0.83 ALDH1A1 (0.74) GRIK1EPHX2ALDH1A1GAARAB9A
SCHEMBL5950033 0.82 KMT2A (0.68) GRIK1ALDH1A1GAARAB9ANPC1
SCHEMBL5950341 0.82 KDR (0.65) GRIK1LMNAMEN1MAPTHTT
SCHEMBL5950372 0.81 ALDH1A1 (0.64) GRIK1ALDH1A1GAARAB9ANPC1
SCHEMBL5950001 0.80 LMNA (0.56) GRIK1MPOALDH1A1GAAKCNK2

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 1018/4885MPO 1886/4885EPHX2 2676/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 GRIK1 745/4885MPO 2457/4885EPHX2 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.