SCHEMBL2542828

SCHEMBL2542828

Fc1cccc(NCC2CCCN2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.41
SYK P43405 2/20 0.41
KCNH2 Q12809 2/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
AURKB Q96GD4 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL2542598 1.00 MAP3K8 (0.41) MAP3K8SYKKCNH2MAPK3MAPK1
SCHEMBL3329262 0.81 LTA4H (0.52)
SCHEMBL1116568 0.81 LTA4H (0.52)
SCHEMBL1116569 0.81 LTA4H (0.52)
SCHEMBL17151508 0.79 KDM4E (0.36) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL12480776 0.79 CHRNB4 (0.42) KCNH2IDO1TDO2
SCHEMBL12480778 0.79 CHRNB4 (0.42) KCNH2IDO1TDO2
SCHEMBL3645647 0.78 LTA4H (0.51)
SCHEMBL3647070 0.78 LTA4H (0.51)
SCHEMBL13943579 0.78 LTA4H (0.51)

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-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP MAP3K8 4004/4885SYK 4288/4885KCNH2 4306/4885

“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.