SCHEMBL941739

SCHEMBL941739

NC(=S)NN=C1C=CC2=C(CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CTSL P07711 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
ALOX12 P18054 1/20 0.30
AGTR1 P30556 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8908450 0.71 TSHR (0.34)
SCHEMBL10373252 0.71 TSHR (0.34)
SCHEMBL3070503 0.69 KDM4E (0.44) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL3070506 0.69 KDM4E (0.44) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4100479 0.66 KMT2A (0.52) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL941085 0.64 KMT2A (0.55) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL27943531 0.64 KMT2A (0.55) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9130522 0.64 KDM4E (0.39) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9130518 0.64 KDM4E (0.39) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL27674911 0.64 MEN1 (0.34) GAAMEN1KMT2AALDH1A1KDM4E

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-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 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-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B GAA 1882/4885MEN1 3155/4885KMT2A 514/4885

“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.