SCHEMBL12380477

SCHEMBL12380477

COC(=O)c1ccc2nnn(CCO[Si](C)(C)C(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.46
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.39
KMO O15229 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MGAM O43451 2/20 0.37
AMY1A P0DUB6 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL31132967 0.91 HCAR3 (0.58) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL12421885 0.91 HCAR3 (0.58) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL12421884 0.81 NPC1 (0.49) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL12380478 0.79 RAB9A (0.38) HCAR3LMNANPC1RAB9AMAPT
SCHEMBL13619476 0.79 LMNA (0.42) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL13619477 0.78 KDM4E (0.42) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL6184141 0.78 HCAR3 (0.56) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL17103115 0.77 HCAR3 (0.47) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL12709757 0.76 KDM4E (0.53) LMNATSHRNPSR1NPC1RAB9A
SCHEMBL31377132 0.75 LMNA (0.44) HCAR3LMNATSHRNPSR1NPC1

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-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators THRESHOLD PHARMACEUTICALS, INC. 2011-08-04 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-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators HIF1AN, HIF1A, HYOU1 HCAR3 175/4885LMNA 3450/4885TSHR 2797/4885

“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.