SCHEMBL7759384

SCHEMBL7759384

O=C(CBr)C1CSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.37
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL14916471 0.79 ALDH1A1 (0.54) ALDH1A1GAANPC1KMT2AMEN1
SCHEMBL10895693 0.73 KMT2A (0.44) ALDH1A1GAANPC1KMT2ATDP1
SCHEMBL10896122 0.73 TSHR (0.45) ALDH1A1GAAKMT2AMEN1
SCHEMBL14113763 0.70 ALDH1A1 (0.38) ALDH1A1GAANPC1KMT2ATDP1
SCHEMBL5395538 0.68 ALDH1A1 (0.50) ALDH1A1GAANPC1KMT2ATDP1
SCHEMBL21144646 0.68 PIN1 (0.54) ALDH1A1
SCHEMBL5387895 0.68 ALDH1A1 (0.50) ALDH1A1GAANPC1KMT2ATDP1
SCHEMBL22779306 0.66 ALDH1A1 (0.36) ALDH1A1GAANPC1KMT2ATDP1
SCHEMBL9565814 0.66 ALDH1A1 (0.40) ALDH1A1GAANPC1KMT2ATDP1
SCHEMBL22952568 0.66 ALDH1A1 (0.36) ALDH1A1GAANPC1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US disclosed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 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-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP ALDH1A1 976/4885GAA 170/4885NPC1 797/4885

“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.