SCHEMBL3827291

SCHEMBL3827291

C[C@@]1(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
CHRNB2 P17787 8/20 0.35
CHRNA4 P43681 8/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA2 Q15822 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
CHRNA7 P36544 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
HPGD P15428 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
SCHEMBL3833887 1.00 NPSR1 (0.36) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3831127 0.92 NPSR1 (0.34) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2487546 0.92 NPSR1 (0.34) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3831124 0.92 NPSR1 (0.34) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3834348 0.86 NPSR1 (0.42) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4204488 0.86 NPSR1 (0.42) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3834344 0.86 NPSR1 (0.42) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1508961 0.86 NPSR1 (0.42) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3873239 0.86 NPSR1 (0.42) NPSR1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3834266 0.85 KCNQ3 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2

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
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
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 NPSR1 4055/4885CHRNB2 4675/4885CHRNA4 4581/4885

“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.