SCHEMBL6909193

SCHEMBL6909193

COC(=O)CCCSC(=S)NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6903478 0.85 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6909266 0.83 BTK (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6907319 0.81 IDO1 (0.51) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL6908564 0.78 POLB (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6909741 0.76 LMNA (0.43) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL6905963 0.75 POLB (0.47) SMN1; SMN2GAA
SCHEMBL18163286 0.75 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL6908588 0.75 LMNA (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11496733 0.74 MAPT (0.54) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL7152781 0.74 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1

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-20030176496-A1 Administering an antiproliferative agent in combination with a potentiating effective amount of a N- substituted dithiocarbamate ester or a pharmaceutically acceptable salt thereof ATHEROGENICS, INC. (US) 2003-09-18 US claimed
EP-1282445-A2 N-SUBSTITUTED DITHIOCARBAMATES FOR THE TREATMENT OF BIOLOGICAL DISORDERS Atherogenics, Inc. (US) 2003-02-12 EP claimed
WO-2001079164-A2 N-SUBSTITUTED DITHIOCARBAMATES FOR THE TREATMENT OF BIOLOGICAL DISORDERS ATHEROGENICS, INC. (US) 2001-10-25 WO claimed
US-6747061-B2 ADMINISTERING AN ANTIPROLIFERATIVE AGENT IN COMBINATION WITH A POTENTIATING EFFECTIVE AMOUNT OF A N- SUBSTITUTED DITHIOCARBAMATE ESTER OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ATHEROGENICS, INC. 2004-06-08 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-20030176496-A1 Administering an antiproliferative agent in combination with a potentiating effective amount of a N- substituted dithiocarbamate ester or a pharmaceutically acceptable salt thereof VCAM1, MKI67, SELL KMT2A 1963/4885MEN1 1075/4885SMN1; SMN2 1130/4885

“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.