SCHEMBL3049538

SCHEMBL3049538

CCOC(=O)c1csc(Nc2cccc(OCC=C(C)C)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
CFTR P13569 1/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 2/20 0.48
HSP90AA1 P07900 2/20 0.48
NPC1 O15118 3/20 0.47
GAA P10253 3/20 0.47
KDM1A O60341 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL3047822 0.84 ANO1 (0.49) SMN1; SMN2L3MBTL1LMNAMAPTTDP1
SCHEMBL3034542 0.83 LMNA (0.56) SMN1; SMN2L3MBTL1LMNAMAPTTDP1
SCHEMBL3043554 0.83 GAA (0.50) SMN1; SMN2MAPTTDP1RAB9AMAPK1
SCHEMBL2831045 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1CFTRLMNAMAPT
SCHEMBL3044989 0.80 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1CFTRLMNAMAPT
SCHEMBL4789312 0.78 SMN1; SMN2 (0.69) SMN1; SMN2L3MBTL1LMNAMAPTTDP1
SCHEMBL10465369 0.76 L3MBTL1 (0.56) SMN1; SMN2L3MBTL1CFTRLMNAMAPT
SCHEMBL10464406 0.74 MAPT (0.65) SMN1; SMN2LMNAMAPTTDP1NPSR1
SCHEMBL21708021 0.74 MAPT (0.68) SMN1; SMN2LMNAMAPTTDP1NPSR1
SCHEMBL525373 0.73 MAOA (0.64) SMN1; SMN2L3MBTL1LMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 SMN1; SMN2 3800/4885L3MBTL1 364/4885CFTR 2203/4885

“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.