SCHEMBL294642

SCHEMBL294642

[CH2]N(C)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
ALDH1A1 P00352 3/20 0.64
AOC3 Q16853 1/20 0.58
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL1776018 0.83 TSHR (0.55) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL1535594 0.80 TSHR (0.54) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL4868343 0.79 TSHR (0.90) TSHRALDH1A1AOC3CARM1PRMT6
Ethylene SCHEMBL28087838 0.79 TSHR (0.90) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL16848072 0.78 TSHR (0.56) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL24735547 0.78 TSHR (1.00) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL11218123 0.78 TSHR (0.70) TSHRALDH1A1AOC3CARM1PRMT6
Dibemethine SCHEMBL10542007 0.78 ALDH1A1 (0.70) TSHRALDH1A1AOC3CARM1PRMT6
Dibemethine SCHEMBL276863 0.78 ALDH1A1 (0.70) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL5014268 0.78 TSHR (1.00) TSHRALDH1A1AOC3CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3732180-A1 COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS Emory University (US) 2020-11-04 EP claimed
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF PHARMACYCLICS LLC 2015-06-18 US claimed
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
CN-102304110-A Hydroxamates as therapeutic agents AXYS PHARM INC 2012-01-04 CN claimed
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 US claimed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US claimed
US-20090270497-A1 Treatment of Non-Localized Inflammation with pan-HDAC Inhibitors PHARMACYCLICS, INC. (US) 2009-10-29 US claimed
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
US-7517988-B2 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2009-04-14 US claimed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US claimed
CN-1133589-A Novel pyrimidine derivative, herbicide and plant growth regulator NISSAN CHEMICAL IND LTD (JP) 1996-10-16 CN claimed
EP-0731795-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO claimed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US claimed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP claimed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP claimed
EP-0200211-A1 Diagnostic radiopharmaceutical compounds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1986-11-05 EP claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed

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-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF HDAC1, HDAC2, HDAC8 TSHR 2124/4885ALDH1A1 2323/4885AOC3 4472/4885
US-20090270497-A1 Treatment of Non-Localized Inflammation with pan-HDAC Inhibitors HDAC2, HDAC1, HDAC4 TSHR 3974/4885ALDH1A1 3276/4885AOC3 3159/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 TSHR 3809/4885ALDH1A1 871/4885AOC3 1951/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 TSHR 2546/4885ALDH1A1 2088/4885AOC3 3969/4885

“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.