SCHEMBL2065291

SCHEMBL2065291

CN1CCN(c2ccccc2C=C2SC(=S)NC2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 4/20 0.60
PIM1 P11309 7/20 0.57
PIM3 Q86V86 3/20 0.57
PIM2 Q9P1W9 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.54
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
PDE4B Q07343 1/20 0.53
GSK3B P49841 1/20 0.52
CA2 P00918 1/20 0.51
EPHX1 P07099 1/20 0.51

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
SCHEMBL2065290 1.00 NAT1 (0.60) NAT1PIM1PIM3PIM2MEN1
SCHEMBL10090250 1.00 NAT1 (0.60) NAT1PIM1PIM3PIM2MEN1
SCHEMBL1579117 0.87 PIM2 (0.74) NAT1PIM1PIM3PIM2MEN1
SCHEMBL5606599 0.87 PIM2 (0.74) NAT1PIM1PIM3PIM2MEN1
SCHEMBL1579417 0.87 PIM2 (0.74) NAT1PIM1PIM3PIM2MEN1
Water SCHEMBL6293321 0.86 PIM2 (0.73) NAT1PIM1PIM3PIM2MEN1
Water SCHEMBL6293322 0.86 PIM2 (0.73) NAT1PIM1PIM3PIM2MEN1
Water SCHEMBL6293323 0.86 PIM2 (0.73) NAT1PIM1PIM3PIM2MEN1
SCHEMBL10090249 0.85 MEN1 (0.60) NAT1PIM1PIM3PIM2MEN1
SCHEMBL885537 0.85 MEN1 (0.60) NAT1PIM1PIM3PIM2MEN1

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-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US claimed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US claimed
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 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 (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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS NAT1 4105/4885PIM1 2536/4885PIM3 1531/4885

“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.