SCHEMBL1201835

SCHEMBL1201835

O=C(Nc1nc2c(C(=O)Nc3ccccc3Oc3ccccc3)cccc2[nH]1)c1cc2ccccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAOB P27338 2/20 0.45
ADORA2A P29274 2/20 0.45
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PYGL P06737 4/20 0.42
PYGM P11217 4/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 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
SCHEMBL1201397 0.88 BRAF (0.46) L3MBTL1MAOBADORA2AALDH1A1ADORA2B
SCHEMBL1200843 0.87 MEN1 (0.46) TDP1L3MBTL1MAOBADORA2AALDH1A1
SCHEMBL1202261 0.83 MAOB (0.51) MAOBADORA2ARAB9AADORA2BADORA1
SCHEMBL8258975 0.81 MAOB (0.46) MAOBADORA2ARAB9AALDH1A1ADORA2B
SCHEMBL1200784 0.81 MAOB (0.43) TDP1MAOBADORA2ARAB9AADORA2B
SCHEMBL1201507 0.81 NPC1 (0.43) MAOBADORA2ARAB9AALDH1A1ADORA2B
SCHEMBL1201895 0.81 PDE10A (0.43) MAOBADORA2AALDH1A1ADORA2BADORA1
SCHEMBL1202315 0.81 RIPK1 (0.52) TDP1MAOBADORA2ARAB9AALDH1A1
SCHEMBL1202141 0.80 KDR (0.53) TSHRL3MBTL1RAB9AALDH1A1MAPT
SCHEMBL1200822 0.80 MAOB (0.44) MAOBADORA2ARAB9AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TSHR 4866/4885TDP1 595/4885L3MBTL1 3600/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP TSHR 4862/4885TDP1 654/4885L3MBTL1 2675/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TSHR 4866/4885TDP1 595/4885L3MBTL1 3600/4885

“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.