Thiocyanic Acid

Thiocyanic Acid

SCHEMBL757271

C=CC[N+](CC=C)(CC=C)CC=C.N#CS

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.30

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
Water SCHEMBL28143046 0.84 TSHR (0.31) ALDH1A1TSHR
Water SCHEMBL28770543 0.84 TSHR (0.31) ALDH1A1TSHR
Thiocyanic Acid SCHEMBL757270 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
Cyanate SCHEMBL1073067 0.82 CA1 (0.35) CA1CA2ALDH1A1TSHR
SCHEMBL11780486 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
Cyanate SCHEMBL1073063 0.82 ALDH1A1 (0.33) CA1CA2ALDH1A1TSHR
SCHEMBL11780479 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
Water SCHEMBL27550759 0.81
SCHEMBL197824 0.80 TSHR (0.33) ALDH1A1TSHR
Hydrogen Sulfide SCHEMBL28090943 0.80 TSHR (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808737-A1 PROCESSES FOR PREPARING MEDICAMENTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AND INTERMEDIATES FOR USE THEREIN BIAL - Portela & Ca., S.A. (PT) 2021-04-21 EP claimed
EP-2577003-B1 METHOD AND APPARATUS FOR OPERATING A STEAM CYCLE PROCESS WITH A LUBRICATED EXPANDER MAN TRUCK & BUS AG (DE) 2018-07-18 EP claimed
US-20160221981-A1 Processes for Preparing Medicaments for the Treatment of Cardiovascular Diseases and Intermediates for Use Therein BIAL-PORTELA & CA., S.A. (PT) 2016-08-04 US claimed
EP-3044215-A1 PROCESSES FOR PREPARING MEDICAMENTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AND INTERMEDIATES FOR USE THEREIN Bial-Portela & CA, S.A. (PT) 2016-07-20 EP claimed
US-9382816-B2 Method and apparatus for operating a steam cycle process with a lubricated expander MAN TRUCK & BUS AG (DE) 2016-07-05 US claimed
EP-1507761-B1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES MERIAL INC (US) 2016-02-24 EP claimed
WO-2015038022-A1 PROCESSES FOR PREPARING MEDICAMENTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AND INTERMEDIATES FOR USE THEREIN BIAL - PORTELA & CA., S.A. (PT) 2015-03-19 WO claimed
US-20130263598-A1 Method and Apparatus for Operating a Steam Cycle Process with a Lubricated Expander MAN TRUCK & BUS AG (DE) 2013-10-10 US claimed
EP-1911757-B1 Method of preparation of 3-(1,3-Dihydroimidazole-2-thione-1-yl)-chromanes and thiochromanes as dopamine-beta-hydroxylase inhibitors PORTELA & CA SA (PT) 2011-03-02 EP claimed
EP-2217585-A2 PROCESS FOR THE PREPARATION OF 2H-CHROMENE-3-CARBAMATE DERIVATIVES BIAL - Portela & Ca., S.A. (PT) 2010-08-18 EP claimed
US-7125904-B2 Peripherally-selective inhibitors of dopamine-β-hydroxylase and method of their preparation PORTELA & C.A., S.A. (PT) 2006-10-24 US claimed
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides BAYER CROPSCIENCE GMBH (DE) 2006-07-27 US claimed
EP-1507761-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2005-02-23 EP claimed
US-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation PORTELA & C.A., S.A. (PT) 2004-07-22 US claimed
WO-2003097604-A9 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2004-05-06 WO claimed
WO-2004033447-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS PERIPHERALLY-SELECTIVE INHIBITORS OF DOPAMINE-BETA-HYDROXYLASE PORTELA & C.A., S.A. (PT) 2004-04-22 WO claimed
EP-1408038-A2 Imidazole deriviatives and their use as peripherally-selective inhibitors of dopamine-beta-hydroxylase Portela & Ca., S.A. (PT) 2004-04-14 EP claimed
WO-2003097604-A1 PYRIDINE CARBOXAMIDE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-11-27 WO claimed
US-6420556-B1 MULTISTAGE REACTION FOR HYPOTENSIVE AGENTS OR CARDIOTONIC AGENTS THE PROCTER & GAMBLE COMPANY 2002-07-16 US claimed
WO-2000035860-A2 ACYL ISOTHIOCYANATE RESINS AND THEIR USE IN SOLID-SUPPORTED SYNTHESIS OF GUANIDINES THE PROCTER & GAMBLE COMPANY (US) 2000-06-22 WO 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 (3 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-20040142996-A1 Peripherally-selective inhibitors of dopamine-beta-hydroxylase and method of their preparation DBH, ADRB1, ADRB3 CA1 4268/4885CA2 3544/4885ALDH1A1 492/4885
US-20060166991-A1 Pyridine carboxamide derivatives and their use as pesticides DDT, ACHE, CYCS CA1 1040/4885CA2 313/4885ALDH1A1 1026/4885
US-20160221981-A1 Processes for Preparing Medicaments for the Treatment of Cardiovascular Diseases and Intermediates for Use Therein DBH, COMT, ADRB3 CA1 3466/4885CA2 1368/4885ALDH1A1 190/4885

“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.