SCHEMBL7571735

SCHEMBL7571735

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.48
EGFR P00533 9/20 0.46
ERBB2 P04626 5/20 0.46
FBP1 P09467 2/20 0.46
ERBB4 Q15303 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
ERBB3 P21860 1/20 0.42

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
SCHEMBL31296648 0.84 MEN1 (0.55) POLBMAPTALDH1A1HPGDRAPGEF4
SCHEMBL31296647 0.84 MEN1 (0.55) POLBMAPTALDH1A1HPGDRAPGEF4
SCHEMBL6584815 0.84 EGFR (0.63) EGFRERBB2FBP1ERBB4
SCHEMBL26116957 0.84 MEN1 (0.55) POLBMAPTALDH1A1HPGDRAPGEF4
SCHEMBL7093309 0.83 POLB (0.55) POLBGAAMAPTALDH1A1RAPGEF4
SCHEMBL7572017 0.83 POLB (0.55) POLBGAAMAPTALDH1A1HPGD
SCHEMBL10112748 0.82 POLB (0.68) POLBGAAMAPTALDH1A1RAPGEF4
SCHEMBL6549773 0.82 POLB (0.68) POLBGAAMAPTMEN1KMT2A
SCHEMBL1891550 0.81 EGFR (0.68) EGFRERBB2
SCHEMBL7571748 0.80 POLB (0.51) POLBGAAMAPTALDH1A1RAPGEF4

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 2087/4885GAA 3075/4885MAPT 3683/4885

“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.