SCHEMBL564229

SCHEMBL564229

ON=NCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CTBP2 P56545 1/20 0.42
IDO1 P14902 4/20 0.42
MIF P14174 1/20 0.41
GRIN2B Q13224 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
GRIN1 Q05586 1/20 0.39
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
AGXT P21549 2/20 0.38
SLC6A4 P31645 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
SCHEMBL28055976 0.85 IDO1 (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL943888 0.74 IDO1 (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2090624 0.72 IDO1 (0.48) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2091029 0.71 MAOB (0.48) TAAR1IDO1MAOBLMNACYP2A6
SCHEMBL12121938 0.70 IDO1 (0.46) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11478072 0.70 IDO1 (0.46) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16775681 0.70 IDO1 (0.46) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9667523 0.70 TAAR1 (0.71) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13435556 0.70 TAAR1 (0.41) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28930416 0.70 CTBP2 (0.41) TAAR1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 US disclosed
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2010-09-23 US disclosed
US-20090253662-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF ALDOSTERONE SYNTHASE PROMOTER POLYMORPHISM NITROMED, INC. (US) 2009-10-08 US disclosed
US-20090192128-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF BETA 1 ADRENERGIC RECEPTOR GLY389ARG POLYMORPHISM NITROMED INC. (US) 2009-07-30 US disclosed
EP-1943361-A4 THE GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF ALDOSTERONE SYNTHASE PROMOTER POLYMORPHISM NITROMED INC (US) 2009-04-15 EP disclosed
US-20090075956-A1 Genetic Risk Assessment in Heart Failure: Impact of the Genetic Variation of NOS3 NITROMED, INC. (US) 2009-03-19 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NITROMED, INC. (US) 2009-02-12 US disclosed
WO-2007019448-A2 NITRIC OXIDE ENHANCING ANGIOTENSIN II ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-15 WO disclosed
WO-2007016136-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 WO disclosed
WO-2007016677-A2 NITRIC OXIDE ENHANCING ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 WO disclosed
WO-2006127591-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-11-30 WO disclosed
WO-2006110601-A2 THE GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF THE GENETIC VARIATION OF NOS3 NITROMED, INC. (US) 2006-10-19 WO disclosed
WO-2006102071-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-28 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
WO-2006099416-A1 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
WO-2006093864-A1 CARDIOVASCULAR COMPOUNDS COMPRISING NITRIC OXIDE ENHANCING GROUPS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-08 WO disclosed
WO-2006078995-A1 CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-07-27 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 (7 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 TAAR1 1292/4885HTR3E 1205/4885HTR3B 1563/4885
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, NOS1 TAAR1 1664/4885HTR3E 908/4885HTR3B 919/4885
US-20090192128-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF BETA 1 ADRENERGIC RECEPTOR GLY389ARG POLYMORPHISM ADRB3, ADRB1, EDNRB TAAR1 1710/4885HTR3E 1385/4885HTR3B 1864/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 TAAR1 920/4885HTR3E 898/4885HTR3B 923/4885
US-20090075956-A1 Genetic Risk Assessment in Heart Failure: Impact of the Genetic Variation of NOS3 NOS3, NOS2, TNNI3 TAAR1 4025/4885HTR3E 1821/4885HTR3B 2498/4885
US-20090253662-A1 GENETIC RISK ASSESSMENT IN HEART FAILURE: IMPACT OF GENETIC VARIATION OF ALDOSTERONE SYNTHASE PROMOTER POLYMORPHISM HSD11B2, HSD11B1, CYP11B2 TAAR1 4183/4885HTR3E 3281/4885HTR3B 2867/4885
US-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NOS1, NOS2, NOS3 TAAR1 1759/4885HTR3E 2695/4885HTR3B 2163/4885

“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.