SCHEMBL6438522

SCHEMBL6438522

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

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 12/20 0.81
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
P2RX1 P51575 1/20 0.59
P2RX4 Q99571 1/20 0.59
P2RX7 Q99572 1/20 0.59
TMPRSS4 Q9NRS4 1/20 0.59
MPO P05164 1/20 0.58
EPHX2 P34913 2/20 0.58
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
SERPINE1 P05121 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KCNK2 O95069 1/20 0.53
KCNK10 P57789 1/20 0.53

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
SCHEMBL6430905 0.90 GRIK1 (1.00) GRIK1MEN1KMT2A
SCHEMBL5464394 0.86 GRIK1 (0.82) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL6439623 0.85 GRIK1 (0.63) GRIK1MEN1KMT2AMPOEPHX2
SCHEMBL6440422 0.84 GRIK1 (0.62) GRIK1MEN1KMT2AMPOEPHX2
SCHEMBL6820411 0.84 GRIK1 (0.71) GRIK1MEN1KMT2AMPOKDM4E
SCHEMBL5950432 0.83 GRIK1 (0.78) GRIK1MEN1KMT2ASERPINE1KDM4E
SCHEMBL4922162 0.81 EPHX2 (0.81) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL4346945 0.81 NTRK1 (0.74) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL420364 0.81 GRIK1 (0.80) GRIK1MEN1KMT2ASERPINE1KDM4E
SCHEMBL5950510 0.80 GRIK1 (0.63) GRIK1MEN1KMT2AP2RX1P2RX4

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 1018/4885MEN1 2987/4885KMT2A 2188/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 GRIK1 745/4885MEN1 2384/4885KMT2A 2286/4885

“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.