SCHEMBL942208

SCHEMBL942208

Cc1cc([N+](=O)[O-])cc(Br)[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
ESPL1 Q14674 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HTT P42858 4/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
S1PR4 O95977 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
GPR35 Q9HC97 1/20 0.38
ACHE P22303 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL589656 0.86 TSHR (0.56) TSHRESPL1ALDH1A1HTTCYP3A4
SCHEMBL782341 0.86 CYP19A1 (0.48) TSHRESPL1ALDH1A1HTTCYP3A4
SCHEMBL14896743 0.79 TSHR (0.45) TSHRESPL1ALDH1A1HTTCYP3A4
SCHEMBL899185 0.77 TSHR (0.47) TSHRESPL1ALDH1A1HTTCYP3A4
SCHEMBL11614422 0.77 TSHR (0.47) TSHRALDH1A1HTTCYP3A4TDP1
SCHEMBL27546397 0.77 ESPL1 (0.40) TSHRESPL1ALDH1A1HTTCYP3A4
SCHEMBL5865009 0.77 HTT (0.44) TSHRESPL1ALDH1A1HTTCYP3A4
Hydrochloric Acid SCHEMBL11609946 0.76 TSHR (0.45) TSHRESPL1ALDH1A1HTTCYP3A4
SCHEMBL11613442 0.74 TSHR (0.44) TSHRALDH1A1HTTCYP3A4TDP1
SCHEMBL3560709 0.74 HTT (0.46) TSHRESPL1ALDH1A1HTTCYP3A4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831042-B1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INT BV (NL) 2019-07-31 EP disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
EP-2734518-B1 COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2016-04-27 EP disclosed
US-9321724-B2 Heteroaryl compounds with A-cyclic bridging unit INTERVET INC. (US) 2016-04-26 US disclosed
US-9296762-B2 Complexing agents and corresponding lanthanide complexes CISBIO BIOASSAYS (FR) 2016-03-29 US disclosed
WO-2013144179-A1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INTERNATIONAL B.V. (NL) 2013-10-03 WO disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
CN-101743246-B 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2013-07-17 CN disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2013011236-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2013-01-24 WO disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
CN-101743246-A 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2010-06-16 CN disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 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 (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-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 TSHR 2133/4885ESPL1 4476/4885ALDH1A1 124/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TSHR 1906/4885ESPL1 4826/4885ALDH1A1 1480/4885

“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.