SCHEMBL3830685

SCHEMBL3830685

COc1ccc(N2C(=O)[C@H](c3cccc(Cl)c3)[C@H]2c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA4 P22748 5/20 0.49
CA7 P43166 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ESR1 P03372 5/20 0.47
ESR2 Q92731 4/20 0.47
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
SOAT1 P35610 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL3830682 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA2CA4
SCHEMBL3833359 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2CA4
SCHEMBL3833355 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCA1CA2CA4
SCHEMBL3827526 0.83 HSD11B1 (0.52) ALDH1A1TSHRCA1CA2CA4
SCHEMBL3827521 0.83 HSD11B1 (0.52) ALDH1A1TSHRCA1CA2CA4
SCHEMBL3827567 0.78 ALDH1A1 (0.49) ALDH1A1TSHRCA1CA2CA4
SCHEMBL4207242 0.78 ALDH1A1 (0.49) ALDH1A1TSHRCA1CA2CA4
SCHEMBL13567975 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCA1CA2CA4
SCHEMBL2003440 0.73 ESR1 (0.64) TSHRCA1CA2CA4CA7
SCHEMBL1992128 0.72 CA1 (0.61) TSHRCA1CA2CA4CA7

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 ALDH1A1 1990/4885TSHR 2591/4885CA1 3331/4885

“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.