SCHEMBL4806067

SCHEMBL4806067

Oc1ccc(-c2nc3ccc(Br)cc3s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.72
MAPT P10636 4/20 0.68
TP53 P04637 1/20 0.68
THRB P10828 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
SULT1A1 P50225 4/20 0.63
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 2/20 0.61
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL31120302 0.90 APP (0.81) APPMAPTTP53THRBSMN1; SMN2
SCHEMBL5423269 0.86 APP (0.81) APPMAPTTP53THRBSMN1; SMN2
SCHEMBL2461395 0.84 APP (1.00) APPMAPTTP53THRBSMN1; SMN2
SCHEMBL4157441 0.84 APP (0.72) APPMAPTSMN1; SMN2SULT1A1KDM4E
SCHEMBL14075967 0.84 APP (0.72) APPMAPTTP53THRBSMN1; SMN2
SCHEMBL30903625 0.83 APP (0.71) APPMAPTTP53SMN1; SMN2KDM4E
SCHEMBL15414023 0.83 APP (0.71) APPMAPTTP53SMN1; SMN2KDM4E
SCHEMBL13254486 0.83 MAPT (0.70) APPMAPTTP53THRBSMN1; SMN2
SCHEMBL2428611 0.81 APP (0.63) APPMAPTTP53THRBSMN1; SMN2
SCHEMBL11197691 0.81 APP (0.68) APPMAPTTP53THRBSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384966-B2 2-arylbenzothiazole derivatives PHARMINXO LIMITED (GB) 2008-06-10 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-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-20060063816-A1 2-Arylbenzothiazole derivatives STEVENS MALCOLM F G 2006-03-23 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 (4 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 277/4885MAPT 388/4885TP53 1001/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA APP 195/4885MAPT 592/4885TP53 1393/4885
US-20060063816-A1 2-Arylbenzothiazole derivatives CX3CR1, HCN2, CYBB APP 1876/4885MAPT 4559/4885TP53 3085/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG APP 277/4885MAPT 221/4885TP53 957/4885

“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.