SCHEMBL3017729

SCHEMBL3017729

NC1=NCc2ccccc2S1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HTR5A P47898 7/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NOS3 P29474 3/20 0.34
NOS2 P35228 2/20 0.34
BLM P54132 1/20 0.33
NOS1 P29475 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
POLB P06746 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
SCHEMBL16153150 0.75 ALDH1A1 (0.36) TSHRHTR5AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8987501 0.69 TSHR (0.47) TSHRHTR5AADRA2AADRA2BADRA2C
SCHEMBL10012555 0.68 MAOB (0.38) HTR5AADRA2AADRA2BADRA2CMEN1
Thioxanthene SCHEMBL29398766 0.64 ALDH1A1 (0.61) TSHRADRA2AMEN1MAPTKMT2A
SCHEMBL4488551 0.64 ALDH1A1 (0.50) TSHRADRA2AMEN1MAPTKMT2A
Thioxanthene SCHEMBL8717 0.64 ALDH1A1 (0.61) TSHRADRA2AMEN1MAPTKMT2A
SCHEMBL11639189 0.64 TRPA1 (0.48) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL8527099 0.64 RYR2 (0.35) TSHRHTR5AADRA2AADRA2BADRA2C
SCHEMBL11639187 0.64 TRPA1 (0.48) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL757802 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
CN-118996445-A Method for electrocatalytic synthesis of N-phenylbenzoxazine amine 宁夏医科大学 2024-11-22 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TSHR 1610/4885HTR5A 268/4885ADRA2A 1221/4885

“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.