SCHEMBL14133405

SCHEMBL14133405

COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=O)NC2=S)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 1/20 0.62
DNMT1 P26358 1/20 0.62
DUSP3 P51452 1/20 0.60
NLRP3 Q96P20 1/20 0.60
PTPN1 P18031 1/20 0.58
PTGES O14684 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL14133814 0.87 SIRT2 (0.66) MEN1KMT2ADUSP3PTPN1PTGES
SCHEMBL7852509 0.82 MEN1 (0.75) MEN1KMT2APOLBDNMT1DUSP3
SCHEMBL22259948 0.81 PTGES (0.77) MEN1KMT2APOLBDNMT1NLRP3
SCHEMBL13345210 0.79 PLK1 (0.65) PTGS2MEN1KMT2APOLBPTGES
SCHEMBL22260007 0.79 PLK1 (0.79) MEN1KMT2ANLRP3PTGESGAA
SCHEMBL22260008 0.76 MEN1 (0.66) MEN1KMT2APOLBDNMT1DUSP3
SCHEMBL11258989 0.76 KMT2A (1.00) PTGS2MEN1KMT2APOLBNLRP3
SCHEMBL1906892 0.75 DUSP3 (1.00) MEN1KMT2APOLBDNMT1DUSP3
SCHEMBL1906889 0.75 DUSP3 (1.00) MEN1KMT2APOLBDNMT1DUSP3
SCHEMBL1906891 0.75 DUSP3 (1.00) MEN1KMT2APOLBDNMT1DUSP3

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-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 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-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS PTGS2 3275/4885MEN1 40/4885KMT2A 2063/4885

“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.