SCHEMBL16229042

SCHEMBL16229042

COc1ccc(COc2c[nH]c(CCl)cc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
DAO P14920 2/20 0.43
FFAR1 O14842 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
APP P05067 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ABCB1 P08183 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL106114 0.87 NPC1 (0.43) NPC1RAB9ADAOFFAR1MTNR1A
SCHEMBL3601000 0.84 FFAR1 (0.57) NPC1RAB9AFFAR1POLBSMN1; SMN2
SCHEMBL9012908 0.83 L3MBTL1 (0.43) POLBTDP1MAOB
SCHEMBL2438835 0.83 NPC1 (0.50) NPC1RAB9AAPPPOLBSMN1; SMN2
SCHEMBL104633 0.83 MTNR1A (0.42) NPC1RAB9ADAOFFAR1MTNR1A
Hydrochloric Acid SCHEMBL10894906 0.82 L3MBTL1 (0.42) POLBTDP1MAOB
SCHEMBL9366663 0.79 NPC1 (0.48) NPC1RAB9AAPPPOLBSMN1; SMN2
SCHEMBL9741507 0.78 RAB9A (0.51) NPC1RAB9AFFAR1MTNR1AMTNR1B
SCHEMBL2433142 0.76 NPC1 (0.48) NPC1RAB9ADAOFFAR1APP
SCHEMBL3600996 0.74 POLB (0.44) NPC1RAB9AFFAR1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202399-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 US disclosed
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-13 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 (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-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC NPC1 4166/4885RAB9A 1453/4885DAO 1/4885
US-10202399-B2 Dihydroxy aromatic heterocyclic compound DAO, DDO, DDC NPC1 4160/4885RAB9A 1420/4885DAO 1/4885
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC NPC1 4160/4885RAB9A 1420/4885DAO 1/4885
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC NPC1 4160/4885RAB9A 1420/4885DAO 1/4885

“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.