SCHEMBL6438520

SCHEMBL6438520

O=C(Nc1ccc(Cl)cc1C(=O)O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.81
TRPV1 Q8NER1 2/20 0.56
RBP4 P02753 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DHODH Q02127 1/20 0.52
SERPINE1 P05121 2/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52

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
SCHEMBL3962623 0.90 GRIK1 (1.00) GRIK1MEN1KMT2A
SCHEMBL6439621 0.85 GRIK1 (0.63) GRIK1TRPV1RBP4CYP3A4CYP2C9
SCHEMBL1462231 0.84 GRIK1 (0.72) GRIK1TRPV1RBP4CYP2C19KDM4E
SCHEMBL6440417 0.84 GRIK1 (0.62) GRIK1TRPV1KDM4ENPC1RAB9A
SCHEMBL1307808 0.84 KDM4E (0.64) GRIK1RBP4CYP3A4CYP2C9CYP2C19
SCHEMBL5950326 0.82 GRIK1 (0.80) GRIK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL5950332 0.82 GRIK1 (0.78) GRIK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL4837100 0.81 GRIK1 (0.68) GRIK1TRPV1KDM4ENPC1RAB9A
SCHEMBL1462989 0.81 GRIK1 (0.72) GRIK1TRPV1KDM4EMEN1KMT2A
SCHEMBL27519885 0.81 GRIK1 (0.55) GRIK1RBP4CYP3A4CYP2C9CYP2C19

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-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
EP-1123274-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-08-16 EP disclosed
WO-2000024707-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-05-04 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 (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 1018/4885TRPV1 7/4885RBP4 4747/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 GRIK1 745/4885TRPV1 16/4885RBP4 4683/4885

“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.