SCHEMBL7572017

SCHEMBL7572017

CCOc1c(Nc2cccc(I)c2)c(=O)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
FBP1 P09467 1/20 0.46
EGFR P00533 6/20 0.45
ERBB2 P04626 1/20 0.45
ERBB4 Q15303 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SYK P43405 1/20 0.41
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDO2 P48775 1/20 0.34
PTK6 Q13882 1/20 0.34
BUB1 O43683 1/20 0.34

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
SCHEMBL7093309 0.83 POLB (0.55) POLBMAPTGAAFBP1EGFR
SCHEMBL7571735 0.83 POLB (0.55) POLBMAPTGAAFBP1EGFR
SCHEMBL6549773 0.82 POLB (0.68) POLBMAPTGAAMEN1KMT2A
SCHEMBL8768090 0.80 POLB (0.51) POLBMAPTGAAEGFRERBB2
SCHEMBL31155183 0.80 MAPT (0.57) POLBMAPTGAAMEN1KMT2A
SCHEMBL7571748 0.80 POLB (0.51) POLBMAPTGAAMEN1KMT2A
SCHEMBL4370102 0.76 POLB (0.53) POLBMAPTGAAMEN1KMT2A
SCHEMBL4023021 0.76 POLB (0.64) POLBMAPTGAAERBB2LMNA
SCHEMBL4368135 0.75 POLB (0.52) POLBMAPTGAAERBB2MEN1
SCHEMBL4023982 0.74 POLB (0.55) POLBMAPTGAAKMT2ALMNA

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 POLB 2087/4885MAPT 3683/4885GAA 3075/4885

“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.