SCHEMBL6258048

SCHEMBL6258048

COc1ccc(C2CSC(N)=N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
BACE1 P56817 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.38
HTR2C P28335 1/20 0.38
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL6254714 1.00 KDM1A (0.47) KDM1AMAOAMAOBBACE1TDP1
Hydrochloric Acid SCHEMBL7564142 0.98 KDM1A (0.49) KDM1AMAOAMAOBBACE1TDP1
Oxalic Acid SCHEMBL7569162 0.91 KDM1A (0.41) KDM1AMAOAMAOBALDH1A1MAPT
SCHEMBL7109309 0.85 KDM1A (0.38) KDM1AMAOAMAOBBACE1MAPK1
SCHEMBL7110629 0.83 ALDH1A1 (0.40) KDM1AMAOAMAOBBACE1MAPK1
SCHEMBL10271980 0.81 KDM1A (0.44) KDM1AMAOAMAOBALDH1A1MAPT
SCHEMBL10340138 0.80 KMT2A (0.37) BACE1MAPK1ALDH1A1MAPTNPC1
SCHEMBL5439563 0.77 BACE1 (0.45) KDM1ABACE1HTR2C
SCHEMBL6257456 0.77 TAAR1 (0.47) KDM1AMAOAMAOBMAPK1ALDH1A1
SCHEMBL12652517 0.77 NOS1 (0.40) MAPK1ALDH1A1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299103-B1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP claimed
US-6420566-B2 NITRIC OXIDE SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2002-07-16 US claimed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 US claimed
EP-1299103-B1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
EP-1299103-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-6420566-B2 NITRIC OXIDE SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
WO-2001093867-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 KDM1A 1799/4885MAOA 667/4885MAOB 507/4885

“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.