SCHEMBL12599124

SCHEMBL12599124

COCCCNC(=S)N/N=C\c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.67
▸ GAA P10253 5/20 0.64
▸ KDM4E B2RXH2 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ HKDC1 Q2TB90 1/20 0.61
▸ PKM P14618 1/20 0.60
▸ MAPT P10636 3/20 0.59
▸ HTT P42858 1/20 0.55
▸ KDM4C Q9H3R0 1/20 0.55
▸ CTH P32929 1/20 0.53
▸ ADORA2A P29274 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 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
SCHEMBL14118002 1.00 TOP2A (0.67) TOP2AGAAKDM4EALDH1A1L3MBTL1
SCHEMBL14118001 1.00 TOP2A (0.67) TOP2AGAAKDM4EALDH1A1L3MBTL1
SCHEMBL5180987 0.81 TOP2A (1.00) TOP2AL3MBTL1LMNANPC1RAB9A
SCHEMBL5180992 0.81 TOP2A (1.00) TOP2AL3MBTL1LMNANPC1RAB9A
SCHEMBL31690655 0.79 TOP2A (0.82) TOP2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL13611503 0.76 TOP2A (1.00) TOP2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL5182159 0.76 HKDC1 (0.76) TOP2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL5182156 0.76 HKDC1 (0.76) TOP2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL31690665 0.74 TOP2A (0.73) TOP2AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL10085223 0.72 SLC2A1 (0.71) TOP2AGAAKDM4EALDH1A1L3MBTL1

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-20120309798-A1 Tumour Treatment Agents and Method VIVOLUX AB 2012-12-06 — — US disclosed
US-20120309798-A1 Tumour Treatment Agents and Method VIVOLUX AB 2012-12-06 — — US disclosed
WO-2011075032-A1 TUMOUR TREATMENT AGENTS AND METHOD VIVOLUX AB (SE) 2011-06-23 — — 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-20120309798-A1 Tumour Treatment Agents and Method PMS2, PDCD1, TK2 TOP2A 5/4885GAA 1793/4885KDM4E 3364/4885

“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.

Send feedback