Sugi Predict

Sugi Predict / Compounds / SCHEMBL2487546

SCHEMBL2487546

SCHEMBL2487546

C[C@@]1(c2ccc(Cl)nc2)NC(=S)N[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA2 Q15822 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
▸ GUSB P08236 1/20 0.32
▸ LMNA P02545 2/20 0.30

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
SCHEMBL3831124 1.00 NPSR1 (0.34) NPSR1TP53MDM2ALDH1A1KDM4E
SCHEMBL3831127 1.00 NPSR1 (0.34) NPSR1TP53MDM2ALDH1A1KDM4E
SCHEMBL3833887 0.92 NPSR1 (0.36) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL3827291 0.92 NPSR1 (0.36) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL4204488 0.86 NPSR1 (0.42) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL3834348 0.86 NPSR1 (0.42) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL3834344 0.86 NPSR1 (0.42) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL1508961 0.86 NPSR1 (0.42) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL3873239 0.86 NPSR1 (0.42) NPSR1ALDH1A1KDM4ESMN1; SMN2CHRNB2
SCHEMBL1508909 0.83 KCNQ3 (0.37) TP53MDM2CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 — — US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 — — US disclosed
EP-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 NPSR1 3866/4885TP53 2/4885MDM2 1/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 NPSR1 4055/4885TP53 1/4885MDM2 2/4885

“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.