SCHEMBL13436795

SCHEMBL13436795

O=C1N/C(=N\c2ccccc2)S/C1=C/C1=CCC(c2cccc(C(=O)O)c2)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.48
DYRK1A Q13627 5/20 0.47
CSNK2A1 P68400 4/20 0.47
PIM1 P11309 4/20 0.47
PIM3 Q86V86 4/20 0.47
DAPK3 O43293 3/20 0.47
DYRK3 O43781 3/20 0.47
HIPK2 Q9H2X6 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CSNK1G1 Q9HCP0 3/20 0.47
PIM2 Q9P1W9 3/20 0.47
GSK3B P49841 3/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
RAB9A P51151 4/20 0.44
POLB P06746 4/20 0.44

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
SCHEMBL13002193 0.84 PIK3CG (0.54) MEN1KMT2APIM1GSK3BRAB9A
SCHEMBL13766507 0.77 CISD1 (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13002198 0.73 HSPD1 (0.48) PIM1TDP1
SCHEMBL13407209 0.73 MYC (0.49) MEN1KMT2APIM1PIM3PIM2
SCHEMBL13002189 0.73 KMO (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13401717 0.72 PIK3CG (0.73) MEN1KMT2ANPC1PIM1GSK3B
SCHEMBL13002190 0.71 KMO (0.34) MEN1KMT2ANPC1PIM1GSK3B
SCHEMBL8290394 0.71 MEN1 (0.52) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13002186 0.69 MYC (0.53) MEN1KMT2APIM1RAB9APOLB
SCHEMBL12812662 0.69 MYC (0.53) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 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-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 MEN1 2792/4885KMT2A 1608/4885NPC1 3302/4885

“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.