SCHEMBL12470797

SCHEMBL12470797

CS(=O)(=O)O.CS(=O)(=O)O.Nc1ccc2c(c1N)Nc1ccccc1S2

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.44
HTR2C known ✓ P28335 1/20 0.44
SLC6A3 known ✓ Q01959 1/20 0.44
MCL1 known ✓ Q07820 1/20 0.41
NOX1 Q9Y5S8 10/20 0.44
GAA P10253 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
ALOX15 P16050 3/20 0.44
KMT2A Q03164 3/20 0.44
SNCA P37840 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL29557697 1.00 NOX1 (0.44) NOX1GAAMAPTMEN1ALOX15
SCHEMBL149995 0.88 NOX1 (0.57) NOX1GAAMAPTMEN1ALOX15
SCHEMBL29390811 0.88 NOX1 (0.57) NOX1GAAMAPTMEN1ALOX15
Hydrochloric Acid SCHEMBL29850528 0.86 NOX1 (0.55) NOX1GAAMAPTMEN1ALOX15
Phenothiazine SCHEMBL31210229 0.81 NOX1 (0.68) NOX1GAAMAPTMEN1ALOX15
Thiosulfuric Acid SCHEMBL18553810 0.78 NOX1 (0.46) NOX1GAAMAPTMEN1ALOX15
SCHEMBL16815268 0.77 NOX1 (0.52) NOX1GAAMAPTMEN1ALOX15
SCHEMBL21101750 0.77 NOX1 (0.52) NOX1GAAMAPTMEN1ALOX15
Phenothiazine SCHEMBL38662173 0.74 NOX1 (0.74) NOX1GAAMAPTMEN1ALOX15
SCHEMBL88106 0.73 NOX1 (0.59) NOX1GAAMAPTMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180464-B2 Phenothiazine diaminium salts and their use WISTA LABORATORIES LTD. (SG) 2021-11-23 US disclosed
US-10864216-B2 Phenothiazine diaminium salts and their use WISTA LABORATORIES, LTD. (SG) 2020-12-15 US disclosed
US-20200246350-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2020-08-06 US disclosed
US-20190046537-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2019-02-14 US disclosed
US-9907804-B2 Phenothiazine diaminium salts and their use WISTA LABORATORIES LTD. (SG) 2018-03-06 US disclosed
US-20160237048-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2016-08-18 US disclosed
US-9283230-B2 Phenothiazine diaminium salts and their use WISTA LABORATORIES LTD. (SG) 2016-03-15 US disclosed
EP-2673266-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WisTa Laboratories Ltd. (SG) 2013-12-18 EP disclosed
US-20130315992-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LIMITED (SG) 2013-11-28 US disclosed
WO-2012107706-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2012-08-16 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 (6 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-20130315992-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE PSEN1, H1-10, HRH4 SLC6A2 285/4885HTR2C 1258/4885SLC6A3 49/4885
US-11180464-B2 Phenothiazine diaminium salts and their use QDPR, SLC35A1, SLC6A7 SLC6A2 13/4885HTR2C 470/4885SLC6A3 14/4885
US-20160237048-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE QDPR, SLC35A1, SLC6A7 SLC6A2 13/4885HTR2C 470/4885SLC6A3 14/4885
US-20200246350-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE QDPR, SLC35A1, SLC6A7 SLC6A2 13/4885HTR2C 470/4885SLC6A3 14/4885
US-10864216-B2 Phenothiazine diaminium salts and their use QDPR, SLC35A1, SLC6A7 SLC6A2 13/4885HTR2C 470/4885SLC6A3 14/4885
US-20190046537-A1 PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE QDPR, SLC35A1, SLC6A7 SLC6A2 13/4885HTR2C 470/4885SLC6A3 14/4885

“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.