SCHEMBL3834271

SCHEMBL3834271

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE1C Q14123 1/20 0.33
CHRNB2 P17787 8/20 0.33
CHRNA4 P43681 8/20 0.33
CHRNB4 P30926 5/20 0.33
CHRNA3 P32297 5/20 0.33
CHRNA2 Q15822 2/20 0.33
CHRNA7 P36544 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 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
SCHEMBL3834266 1.00 KCNQ3 (0.35) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL3827291 0.85 NPSR1 (0.36) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL3833887 0.85 NPSR1 (0.36) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL3833981 0.80 CNR1 (0.41) KMT2AMDM2MAPK1ALDH1A1MEN1
SCHEMBL3833984 0.80 CNR1 (0.41) KMT2AMDM2MAPK1ALDH1A1MEN1
SCHEMBL3827551 0.79 TP53 (0.34) KMT2ATP53MDM2CHRNB2CHRNA4
SCHEMBL13567978 0.79 KMT2A (0.35) KMT2ATP53MAPK1ALDH1A1MEN1
SCHEMBL3827553 0.79 TP53 (0.34) KMT2ATP53MDM2CHRNB2CHRNA4
SCHEMBL2487546 0.77 NPSR1 (0.34) KCNQ3KCNQ2KCNE1KCNQ1TP53
SCHEMBL3831124 0.77 NPSR1 (0.34) KCNQ3KCNQ2KCNE1KCNQ1TP53

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 KCNQ3 4627/4885KCNQ2 4248/4885KCNE1 3257/4885

“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.