SCHEMBL5425939

SCHEMBL5425939

COc1ccc(-c2nc3c(C(F)(F)F)cc(OC)cc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SULT1A1 P50225 1/20 0.48
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ALOX5 P09917 4/20 0.45
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
PIK3CA P42336 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
SCHEMBL5415087 0.81 KDM4E (0.55) APPKDM4ENPC1PKMRAB9A
SCHEMBL5419802 0.80 KDM4E (0.54) APPKDM4ENPC1PKMRAB9A
SCHEMBL5418844 0.79 KDM4E (0.52) APPKDM4ENPC1PKMRAB9A
SCHEMBL5419706 0.79 KDM4E (0.52) APPKDM4ENPC1PKMRAB9A
SCHEMBL14416785 0.78 KDM4E (0.51) APPKDM4ENPC1PKMRAB9A
SCHEMBL6986405 0.77 KDM4E (0.50) APPKDM4ENPC1PKMRAB9A
SCHEMBL5423278 0.76 KDM4E (0.49) APPKDM4ENPC1PKMRAB9A
SCHEMBL5417119 0.76 KDM4E (0.49) APPKDM4ENPC1PKMRAB9A
SCHEMBL14409229 0.76 APP (0.51) APPKDM4ENPC1PKMRAB9A
SCHEMBL5423200 0.76 KDM4E (0.49) APPKDM4ENPC1PKMRAB9A

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 APP 277/4885KDM4E 2759/4885NPC1 2588/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA APP 195/4885KDM4E 2761/4885NPC1 2976/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG APP 277/4885KDM4E 1759/4885NPC1 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.