SCHEMBL7530457

SCHEMBL7530457

CCCNc1c(OC)cccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
CRHR1 P34998 1/20 0.42
HTR1A P08908 4/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7536229 0.89 CRHR1 (0.44) ITGB1ITGA4DRD2DRD4DRD3
SCHEMBL23030376 0.83 CA1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL1644001 0.78 CHRM2 (0.64) CA12CA1CA2CA4CA7
SCHEMBL24381722 0.78 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL11808662 0.77 CHRM2 (0.46) CA12CA1CA2CA14HTR1A
SCHEMBL28395567 0.76 ALOX5 (0.49) CYP2D6CHRM2ALOX5PTGS2TP53
SCHEMBL4911213 0.73 ITGB1 (0.53) ITGB1ITGA4CRHR1HTR1AMEN1
SCHEMBL12963035 0.72 ALDH1A1 (0.42) ADRA1DADRA1AADRA1BCYP1A2KMT2A
SCHEMBL31744538 0.72 KMT2A (0.45) CA12CA1CA2CA4CA7
SCHEMBL3821707 0.72 MAPT (0.53) CA2MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137740-A1 Aminothiazole derivatives, process for preparing them and pharmaceutical compositions containing them FONTAINE EVELYNE (FR) 2002-09-26 US disclosed
EP-0934290-B1 AMINOTHIAZOLE DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-04-17 EP disclosed
US-6344470-B1 Aminothiazole derivatives, method of preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-02-05 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 (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-20020137740-A1 Aminothiazole derivatives, process for preparing them and pharmaceutical compositions containing them CRHR1, ADRA1D, ADRB1 ITGB1 1453/4885ITGA4 1293/4885CA12 4481/4885

“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.