SCHEMBL4871009

SCHEMBL4871009

CC(NCCN1C(=O)c2ccccc2C1=O)c1ccnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAOB P27338 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
PTK2B Q14289 2/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL280639 0.75 HTR1A (0.44) HTR1AADRA1DADRA1AADRA1B
SCHEMBL5049343 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10MAOBSMN1; SMN2
SCHEMBL4863424 0.73 PDE10A (0.46) ALDH1A1NPSR1MAOBSMN1; SMN2MAPT
SCHEMBL4750336 0.73 GLS (0.50) ALDH1A1MAOB
SCHEMBL30793979 0.73 GLS (0.50) ALDH1A1MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL4862865 0.72 GAA (0.48) ALDH1A1L3MBTL1MAOBSMN1; SMN2TP53
SCHEMBL14614619 0.70 NCF1 (0.44) ALDH1A1HSD17B10SMN1; SMN2MAPTCYP1A2
SCHEMBL4871016 0.68 MAOB (0.58) MAOB
SCHEMBL2083743 0.68 MAOB (0.48) ALDH1A1HSD17B10NPSR1MAOBSMN1; SMN2
SCHEMBL2082949 0.68 MAOB (0.48) ALDH1A1HSD17B10NPSR1MAOBSMN1; 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 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 ALDH1A1 2876/4885L3MBTL1 2490/4885HSD17B10 460/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL ALDH1A1 4150/4885L3MBTL1 1151/4885HSD17B10 183/4885

“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.