SCHEMBL7586739

SCHEMBL7586739

O=C(O)c1cccc(Br)c1Nc1c(Nc2cccc(I)c2)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.47
GRIK1 P39086 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MAPK8 P45983 1/20 0.37
FABP4 P15090 1/20 0.36
MAPT P10636 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL7571639 0.87 CXCR2 (0.49) CXCR2GRIK1MEN1KMT2APOLB
SCHEMBL7595003 0.85 CXCR2 (0.52) CXCR2GRIK1MEN1KMT2APOLB
SCHEMBL3206570 0.83 GRIK1 (0.49) CXCR2GRIK1MEN1KMT2AFABP4
SCHEMBL11542345 0.79 CXCR2 (0.53) CXCR2MEN1KMT2AMAPK8FABP4
SCHEMBL7577106 0.74 CXCR2 (0.52) CXCR2MEN1KMT2APOLBMAPT
SCHEMBL7573159 0.74 CXCR2 (0.47) CXCR2GRIK1MEN1KMT2ATAS2R14
SCHEMBL7572551 0.71 CXCR2 (0.63) CXCR2GRIK1MAPK8FABP4TAS2R14
SCHEMBL7662910 0.70 TAS2R14 (0.56) CXCR2MEN1KMT2AFABP4TAS2R14
SCHEMBL16621392 0.68 AKR1C3 (0.53) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL1686500 0.68 MEN1 (0.55) MEN1KMT2AMAPTPTGS1PTGS2

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-1117633-B1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2002-09-18 EP 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-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use ANIONA APS (DK) 2001-12-27 US disclosed
EP-1117633-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-07-25 EP disclosed
WO-2000020378-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-04-13 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 (1 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 CXCR2 415/4885GRIK1 1228/4885MEN1 1489/4885

“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.