SCHEMBL6228236

SCHEMBL6228236

O=C/C=C/c1cnc(C2CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
XDH P47989 1/20 0.32
HDAC4 P56524 1/20 0.32
CCNB2 O95067 3/20 0.32
CDK1 P06493 3/20 0.32
CDK4 P11802 3/20 0.32
CCNB1 P14635 3/20 0.32
CCND1 P24385 3/20 0.32
CCNB3 Q8WWL7 3/20 0.32
OPRL1 P41146 1/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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 1.00 ALDH1A1 (0.38) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL15129512 0.79 HDAC4 (0.35) ALDH1A1KDM4EHDAC4OPRL1
SCHEMBL7469291 0.74 P4HTM (0.49) ALDH1A1LMNAALOX5MAPK1KDM4E
SCHEMBL7469295 0.74 P4HTM (0.49) ALDH1A1LMNAALOX5MAPK1KDM4E
SCHEMBL20582080 0.72 HDAC4 (0.33) HDAC4OPRL1
SCHEMBL12701320 0.72 ADH1A (0.33) ALDH1A1KDM4EHDAC4
SCHEMBL5858751 0.71 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL5858750 0.71 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6276362 0.71 KDM4E (0.32) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL20796822 0.69 FOS (0.30)

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 6 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
EP-1513856-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US disclosed
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 US disclosed
WO-2003102010-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-11 WO 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 (2 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 ALDH1A1 4517/4885TRPA1 1783/4885LMNA 4118/4885
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents CHCHD6, MRPL21, MRPS18B ALDH1A1 4053/4885TRPA1 4718/4885LMNA 3091/4885

“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.