SCHEMBL3022267

SCHEMBL3022267

NC1=Nc2ccccc2CS1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
CTSD P07339 1/20 0.39
ACHE P22303 7/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL22782149 0.75 NPC1 (0.54) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL3703843 0.75 NPC1 (0.51) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL3015571 0.74 KMT2A (0.44) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL11706723 0.72 NPC1 (0.49) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL26812944 0.71 NPC1 (0.47) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL5729334 0.69 NPC1 (0.46) KMT2ANPC1RAB9AMEN1POLB
Hydrochloric Acid SCHEMBL8987501 0.69 TSHR (0.47) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL1255973 0.69
SCHEMBL11770529 0.68 RAB9A (1.00) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL14061442 0.67 ACHE (0.36) KMT2ARAB9APOLBSMN1; SMN2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996014842-A1 SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO claimed
CN-111848547-B 3, 4-dihydro-2H-1, 3-thiazine derivative and preparation method thereof 深圳职业技术学院 2022-09-06 CN disclosed
CN-111848547-A 3, 4-dihydro-2H-1, 3-thiazine derivative and preparation method thereof 深圳职业技术学院 2020-10-30 CN disclosed
EP-2190829-B1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm Biotech Srl (IT) 2016-08-17 EP disclosed
US-8420634-B2 Amidine, thiourea and guanidine derivatives of 2-aminobenzothiazoles and aminobenzothiazines for their use as pharmacological agents for the treatment of neurodegenerative pathologies ROTTAPHARM S.P.A. (IT) 2013-04-16 US disclosed
US-8420634-B2 Amidine, thiourea and guanidine derivatives of 2-aminobenzothiazoles and aminobenzothiazines for their use as pharmacological agents for the treatment of neurodegenerative pathologies ROTTAPHARM S.P.A. (IT) 2013-04-16 US disclosed
US-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM BIOTECH S.R.L. (IT) 2010-08-05 US disclosed
US-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM BIOTECH S.R.L. (IT) 2010-08-05 US disclosed
EP-2190829-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm S.p.A. (IT) 2010-06-02 EP disclosed
WO-2009040331-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM S.P.A. (IT) 2009-04-02 WO disclosed
CN-1170537-C Substituted 1-(piperidin-4-yl)-3-(aryl)-isothioureas, their prepn. and therapeutic use Ƥ����������ҩƷ��˾ 2004-10-13 CN disclosed
EP-1143971-B1 SUBSTITUTED 1-(PIPERIDIN-4-YL)-3-(ARYL)-ISOTHIOUREAS, THEIR PREPARATION AND THERAPEUTIC USE PF MEDICAMENT (FR) 2004-06-02 EP disclosed
US-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use PIERRE FABRE MEDICAMENT (FR) 2004-01-22 US disclosed
US-6583159-B1 Myocardial ischemia; cytoprotective properties PIERRE FABRE MEDICAMENT (FR) 2003-06-24 US disclosed
CN-1103338-C Heterocyclic compounds for treating myocardial ischaemia PF MEDICAMENT (FR) 2003-03-19 CN disclosed
CN-1336821-A Substituted 1-(piperidin-4-yl)-3-(aryl)-isothioureas, their prepn. and therapeutic use PF MEDICAMENT (FR) 2002-02-20 CN disclosed
WO-1996014842-A1 SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 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-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ABAT, SMN1; SMN2, IAPP KMT2A 3810/4885NPC1 1633/4885RAB9A 3189/4885
US-20040014785-A1 Substituted 1-(piperidin-4-YL)-3-(aryl)-isothioureas, their preparation and therapeutic use AQP1, SLCO2A1, SLCO2B1 KMT2A 2358/4885NPC1 132/4885RAB9A 1933/4885

“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.