SCHEMBL4862865

SCHEMBL4862865

CC(NCCN1C(=O)c2ccccc2C1=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 4/20 0.40
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5049343 0.85 ALDH1A1 (0.48) GAASMN1; SMN2MAOBALDH1A1L3MBTL1
SCHEMBL14928667 0.77 HTT (0.46) GAAKDM4EKMT2ATP53ALOX15
SCHEMBL30793979 0.76 GLS (0.50) SMN1; SMN2MAOBALDH1A1
SCHEMBL4750336 0.76 GLS (0.50) MAOBALDH1A1
SCHEMBL13138032 0.74 KCNN4 (0.56) KDM4EKMT2AALOX15HTTSMN1; SMN2
SCHEMBL14923472 0.74 HTT (0.46) GAAKDM4EKMT2AHTTMAPK1
SCHEMBL15130958 0.74 SLC6A2 (0.70) KDM4EKMT2AALOX15HTTSMN1; SMN2
SCHEMBL10734242 0.73 KDM4E (0.53) KDM4EKMT2AALOX15HTTSMN1; SMN2
SCHEMBL10858982 0.73 KDM4E (0.53) GAAKDM4EKMT2AALOX15HTT
SCHEMBL4871009 0.72 ALDH1A1 (0.41) KDM4EKMT2ATP53SMN1; SMN2MAOB

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 8 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
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US 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 (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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD GAA 682/4885KDM4E 74/4885KMT2A 2250/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL GAA 933/4885KDM4E 1173/4885KMT2A 1920/4885

“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.