SCHEMBL5419802

SCHEMBL5419802

COc1ccc(-c2nc3c(Br)cc(OC)cc3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
APP P05067 8/20 0.52
SULT1A1 P50225 1/20 0.52
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
ALOX5 P09917 3/20 0.49
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5415087 0.86 KDM4E (0.55) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5419706 0.84 KDM4E (0.52) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5418844 0.84 KDM4E (0.52) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL316219 0.84 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5423200 0.83 KDM4E (0.49) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL14416785 0.82 KDM4E (0.51) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL6986405 0.81 KDM4E (0.50) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5417119 0.80 KDM4E (0.49) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL5425939 0.80 APP (0.51) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL14409229 0.80 APP (0.51) KDM4ESMN1; SMN2NPC1PKMRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 US disclosed
US-20060111408-A1 Therapeutic benzothiazole compounds BARLAAM BERNARD 2006-05-25 US disclosed
US-7045539-B2 Therapeutic benzoxazole compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 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 (3 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-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 KDM4E 2759/4885SMN1; SMN2 1899/4885NPC1 2588/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA KDM4E 2761/4885SMN1; SMN2 1878/4885NPC1 2976/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG KDM4E 1759/4885SMN1; SMN2 2412/4885NPC1 3474/4885

“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.