SCHEMBL7595003

SCHEMBL7595003

Cc1cccc(C(=O)O)c1Nc1c(Nc2cccc(I)c2)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.52
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ACLY P53396 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIK1 P39086 1/20 0.40
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7577106 0.85 CXCR2 (0.52) CXCR2POLBKDM4EALDH1A1HPGD
SCHEMBL7586739 0.85 CXCR2 (0.47) CXCR2POLBMEN1KMT2AGRIK1
SCHEMBL3206570 0.83 GRIK1 (0.49) CXCR2ALDH1A1MEN1KMT2AGRIK1
SCHEMBL28277843 0.79 MEN1 (0.57) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3364068 0.79 POLB (0.60) CXCR2POLBKDM4EALDH1A1HPGD
SCHEMBL28277832 0.74 POLB (0.44) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22719750 0.74 MEN1 (0.60) ALDH1A1MEN1KMT2AGRIK1LMNA
SCHEMBL7573159 0.72 CXCR2 (0.47) CXCR2ALDH1A1MEN1KMT2AGRIK1
SCHEMBL7571639 0.71 CXCR2 (0.49) CXCR2POLBALDH1A1MEN1KMT2A
SCHEMBL28276372 0.71 KDM4E (0.65) CXCR2POLBKDM4EALDH1A1HPGD

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 415/4885POLB 2087/4885KDM4E 2170/4885

“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.