SCHEMBL387258

SCHEMBL387258

Oc1cnc(-c2ccc(Br)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALOX15 P16050 2/20 0.46
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
METAP2 P50579 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL3625738 0.83 MEN1 (0.77) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16222829 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14422990 0.81 MEN1 (0.82) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2434792 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1227061 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28643702 0.77 MEN1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1198719 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3558330 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28663547 0.74 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3781325 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657471-B Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP 2013-07-03 CN disclosed
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
CN-101657471-A Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP US 2010-02-24 CN disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
CN-100491323-C Biaryloxymethylarenecarboxylic acids compound HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
EP-0256097-B1 VINYL COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1990-08-01 EP 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 (2 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC NPC1 479/4885RAB9A 2962/4885SMN1; SMN2 4188/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC NPC1 479/4885RAB9A 2962/4885SMN1; SMN2 4188/4885

“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.