SCHEMBL3832385

SCHEMBL3832385

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 3/20 0.34
MDM2 Q00987 3/20 0.34
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE1C Q14123 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 3/20 0.32
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNA2 Q15822 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 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
SCHEMBL3830486 0.89 TP53 (0.36) NPSR1MAPTTP53MDM2CYP3A4
SCHEMBL3830488 0.89 TP53 (0.36) NPSR1MAPTTP53MDM2CYP3A4
SCHEMBL3828364 0.80 NPSR1 (0.39) NPSR1MAPTALDH1A1LMNATP53
SCHEMBL13567969 0.77 NPSR1 (0.37) NPSR1MAPTALDH1A1LMNAKDM4E
SCHEMBL3830291 0.77 TP53 (0.36) NPSR1MAPTTP53MDM2CYP3A4
SCHEMBL3830287 0.77 TP53 (0.36) NPSR1MAPTTP53MDM2CYP3A4
SCHEMBL3827291 0.73 NPSR1 (0.36) NPSR1ALDH1A1KDM4EHPGDCHRNB2
SCHEMBL3833887 0.73 NPSR1 (0.36) NPSR1ALDH1A1KDM4EHPGDCHRNB2
SCHEMBL13567906 0.72 NPSR1 (0.37) NPSR1MAPTALDH1A1LMNATP53
SCHEMBL3834266 0.71 KCNQ3 (0.35) ALDH1A1TP53MDM2PDE1CHPGD

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 NPSR1 4055/4885MAPT 3039/4885ALDH1A1 1990/4885

“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.