SCHEMBL6440646

SCHEMBL6440646

NC(=O)N(c1cccc(C(F)(F)F)c1)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGS1 P23219 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
UGT1A1 P22309 1/20 0.41

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
SCHEMBL7733950 0.90 GRIK1 (0.43) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7741946 0.90 KDM4E (0.49) GRIK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7062441 0.87 PTPN1 (0.54) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7621277 0.86 MEN1 (0.41) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7642079 0.86 GRIK1 (0.47) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7618071 0.86 LMNA (0.43) GAARXFP1PTGS1LMNA
SCHEMBL7612989 0.86 ATM (0.46) GAAALDH1A1KDM4ERXFP1PTGS1
SCHEMBL7613082 0.85 MPO (0.51) GRIK1MEN1KMT2AGAAALDH1A1
SCHEMBL7609229 0.85 GRIK1 (0.46) GRIK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7613732 0.85 AKR1C3 (0.54) MEN1KMT2AKDM4ERXFP1LMNA

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 21 patents — showing the first 20. 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
EP-1123274-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-12-29 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
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
EP-0906273-B1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2002-10-16 EP disclosed
EP-1117633-B1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2002-09-18 EP disclosed
US-6417393-B1 TREATMENT OF SICKLE-CELL ANEMIA, BRAIN EDEMA FROM TUMORS OR ISCHEMIA, DIARRHEA, AND GLAUCOMA; HYPOTENSIVE, WOUND HEALING, ANTIINFLAMMATORY AND ANTIALLERGEN AGENTS NEUROSEARCH A/S (DK) 2002-07-09 US disclosed
US-6413996-B2 CHLORIDE CHANNEL BLOCKERS; FOR TREATMENT OF SICKLE CELL ANAEMIA, BRAIN OEDEMA FOLLOWING ISCHAEMIA OR TUMOURS, DIARRHOEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, BONE METASTASIZING CANCERS NEUROSEARCH A/S (DK) 2002-07-02 US disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use ANIONA APS (DK) 2001-12-27 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-1123274-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-08-16 EP disclosed
EP-1117633-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-07-25 EP disclosed
WO-2000024707-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-05-04 WO disclosed
WO-2000020378-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-04-13 WO disclosed
EP-0977741-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-02-09 EP disclosed
EP-0906273-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1999-04-07 EP disclosed
WO-1998047879-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-10-29 WO disclosed
WO-1997045400-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-12-04 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-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use HCN4, CLIC1, KCNB1 GRIK1 1228/4885MEN1 1489/4885KMT2A 3418/4885
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.