SCHEMBL5434005

SCHEMBL5434005

COc1ccc(-c2nc3ccc(OC)c(Br)c3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SULT1A1 P50225 1/20 0.50
APP P05067 6/20 0.47
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
ALOX5 P09917 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6982547 0.96 KDM4E (0.48) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL5419829 0.78 ALDH1A1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL2136886 0.77 KDM4E (0.54) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL19435575 0.75 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL34471465 0.74 CYP3A4 (0.45) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL2676990 0.74 ALDH1A1 (0.57) KDM4EALDH1A1
SCHEMBL10032140 0.73 APP (0.52) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL5419850 0.72 SULT1A1 (0.70) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL6984320 0.71 APP (0.72) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL5429982 0.71 APP (0.83) KDM4ENPC1PKMRAB9ASMN1; SMN2

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 2759/4885NPC1 2588/4885PKM 1559/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA KDM4E 2761/4885NPC1 2976/4885PKM 2603/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG KDM4E 1759/4885NPC1 3474/4885PKM 1602/4885

“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.