SCHEMBL4873585

SCHEMBL4873585

[CH2]CCCc1ncc(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
KDR P35968 7/20 0.42
QPCT Q16769 1/20 0.42
LOXL3 P58215 1/20 0.40
HTR7 P34969 1/20 0.39
GSTO1 P78417 1/20 0.39
HPGDS O60760 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL28207097 0.82 LOXL2 (0.58) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL14268968 0.82 LOXL2 (0.59) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL5677060 0.81 LOXL2 (0.42) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL5677058 0.80 LOXL2 (0.49) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL2227416 0.79 LOXL2 (0.64) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL28815683 0.79 LOXL2 (0.55) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL13680965 0.75 ERCC5 (0.55) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL25523340 0.75 LOXL2 (0.51) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL2226631 0.75 LOXL2 (0.58) LOXL2ERCC5FEN1KDRQPCT
SCHEMBL2226003 0.75 ERCC5 (0.63) LOXL2ERCC5FEN1KDRLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD LOXL2 1023/4885ERCC5 4300/4885FEN1 1838/4885

“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.