SCHEMBL6276362

SCHEMBL6276362

O=CC=Cc1ncc(C2CC2)cn1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPK1 P28482 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
SCHEMBL6228239 0.71 ALDH1A1 (0.38) KDM4ETRPA1ALDH1A1LMNAALOX5
SCHEMBL6228236 0.71 ALDH1A1 (0.38) KDM4ETRPA1ALDH1A1LMNAALOX5
SCHEMBL31492024 0.69 ALDH1A1 (0.42) KDM4EKMT2ATRPA1ALDH1A1LMNA
SCHEMBL20439243 0.68 ALDH1A1 (0.42) KDM4ETRPA1ALDH1A1LMNAALOX5
SCHEMBL22092367 0.65 CA12 (0.44) KDM4EHTTL3MBTL1ALDH1A1LMNA
SCHEMBL22092369 0.65 CA12 (0.44) KDM4EHTTL3MBTL1ALDH1A1LMNA
SCHEMBL28048626 0.64 CCNB2 (0.53) KDM4ETRPA1ALDH1A1LMNAALOX5
SCHEMBL21355057 0.64 KDM4E (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL32684974 0.64 KDM4E (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL27579404 0.62 MAPT (0.47) KDM4EGLAHTTKMT2ASMN1; SMN2

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
WO-2005121160-A2 11, 12 CYCLIC THIOCARBAMATE MACROLIDE ANTIBACTERIAL AGENTS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT (US) 2005-12-22 WO disclosed
US-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents ZHU BIN 2005-11-10 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-20050250713-A1 11,12-Cyclic thiocarbamate macrolide antibacterial agents MRPL21, TTC14, MRPL12 KDM4E 3190/4885GLA 3172/4885HTT 3038/4885

“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.