SCHEMBL6225865

SCHEMBL6225865

O=CC=Cc1cnc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
XDH P47989 1/20 0.33
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CDK4 P11802 2/20 0.32
CCNB1 P14635 2/20 0.32
CCND1 P24385 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32

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
SCHEMBL6225863 1.00 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6248585 0.80 GABBR2 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6248587 0.80 GABBR2 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL347307 0.79 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL6227922 0.76 TRPV4 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6227921 0.76 TRPV4 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL9889551 0.75 LMNA (0.30) ALDH1A1LMNAKDM4E
SCHEMBL1124233 0.73 P4HTM (0.50) ALDH1A1LMNAALOX5MAPK1KDM4E
SCHEMBL1124232 0.73 P4HTM (0.50) ALDH1A1LMNAALOX5MAPK1KDM4E
SCHEMBL5858751 0.72 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAALOX5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1671726-A 3-descladinosyl-6-O-carbamoyl and 6-O-alkoxycarbonyl macrolide antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2005-09-21 CN 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 (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-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.