SCHEMBL7112812

SCHEMBL7112812

COc1ccc(C2CSC(N)=N2)cc1.NC1=NC(CSCc2ccccc2)CS1.NC1=NC(c2cccc(Br)c2)CS1.NC1=NC(c2ccccc2)CS1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
NCOR1 O75376 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
RORC P51449 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7110961 1.00 HDAC3 (0.33) HDAC3NCOR1HDAC2HDAC8RORC
SCHEMBL7110629 0.86 ALDH1A1 (0.40) RORCBACE1ALDH1A1MAPTNPC1
SCHEMBL7109309 0.84 KDM1A (0.38) RORCBACE1ALDH1A1MAPTNPC1
SCHEMBL7110957 0.84 RORC (0.31) RORCMMP1MMP2MMP3MMP9
SCHEMBL6255689 0.75 GABRA1 (0.44) HDAC3NCOR1HDAC2ALDH1A1RAB9A
SCHEMBL6255685 0.75 GABRA1 (0.44) HDAC3NCOR1HDAC2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7564169 0.74 GABRA1 (0.43) HDAC3NCOR1HDAC2BACE1ALDH1A1
Hydrochloric Acid SCHEMBL7570148 0.74 GABRA1 (0.43) HDAC3NCOR1HDAC2BACE1ALDH1A1
SCHEMBL6254095 0.73 KDM1A (0.49) BACE1ALDH1A1MAPTRAB9AHPGD
SCHEMBL6254097 0.73 KDM1A (0.49) BACE1ALDH1A1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC3 2180/4885NCOR1 1937/4885HDAC2 3037/4885

“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.