SCHEMBL6994968

SCHEMBL6994968

NC1=NC(Cc2ccccc2)CS1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.51
NOS1 P29475 6/20 0.50
NOS2 P35228 6/20 0.50
GABRA1 P14867 3/20 0.50
GABRR1 P24046 3/20 0.50
GABRA5 P31644 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRA4 P48169 3/20 0.50
SLC6A12 P48065 1/20 0.50
SLC6A13 Q9NSD5 1/20 0.50
NOS3 P29474 1/20 0.50
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6191572 1.00 TAAR1 (0.51) TAAR1NOS1NOS2GABRA1GABRR1
Hydrochloric Acid SCHEMBL6752220 0.98 TAAR1 (0.50) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL6191375 0.84 GABRA1 (0.45) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL6193169 0.84 GABRA1 (0.45) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL27458720 0.83 NOS1 (0.55) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL27458719 0.83 NOS1 (0.55) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL27486545 0.83 NOS1 (0.55) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL11358318 0.83 NOS1 (0.47) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL6191222 0.83 GABRA1 (0.47) TAAR1NOS1NOS2GABRA1GABRR1
SCHEMBL6190236 0.83 GABRA1 (0.47) TAAR1NOS1NOS2GABRA1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003535853-A 2003-12-02 JP claimed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP claimed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US claimed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US claimed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US claimed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO claimed
US-11548862-B2 Preparation method of selenium-containing heterocyclic compounds WENZHOU UNIVERSITY (CN) 2023-01-10 US disclosed
US-20220169623-A1 PREPARATION METHOD OF SELENIUM-CONTAINING HETEROCYCLIC COMPOUNDS WENZHOU UNIVERSITY (CN) 2022-06-02 US disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US 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 (5 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-11548862-B2 Preparation method of selenium-containing heterocyclic compounds SCLY, TST, SOD1 TAAR1 2250/4885NOS1 1254/4885NOS2 1005/4885
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 TAAR1 369/4885NOS1 3/4885NOS2 1/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 TAAR1 276/4885NOS1 5/4885NOS2 4/4885
US-20220169623-A1 PREPARATION METHOD OF SELENIUM-CONTAINING HETEROCYCLIC COMPOUNDS SCLY, TST, SOD1 TAAR1 2250/4885NOS1 1254/4885NOS2 1005/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 TAAR1 348/4885NOS1 3/4885NOS2 1/4885

“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.