SCHEMBL14029795

SCHEMBL14029795

C=CCOc1cc(OCC=C)c(C(=O)NNC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1CC#CC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 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
SCHEMBL14029827 0.92 CACNA1B (0.43) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14029825 0.92 CACNA1B (0.49) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14767967 0.89 KMT2A (0.51) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14029826 0.88 MAPK1 (0.42) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14029824 0.84 POLB (0.40) MAPK1KMT2AMAPTALDH1A1
SCHEMBL14924932 0.82 MAPT (0.51) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14767971 0.81 KMT2A (0.54) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5003467 0.77 CACNA1B (0.48) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5002691 0.73 MAPK1 (0.51) MAPK1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14924985 0.73 NPC1 (0.48) MAPK1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 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-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 MAPK1 512/4885KMT2A 3396/4885MAPT 3074/4885

“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.