SCHEMBL4862596

SCHEMBL4862596

COc1ccc(-c2cn(CCCCN3C(=O)c4ccccc4C3=O)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 3/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
MAOB P27338 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
SCHEMBL4867189 0.87 KDM4E (0.42) RAB9AKDM4EUSP2LMNAPOLB
SCHEMBL14268974 0.85 TDP1 (0.41) RAB9AUSP2TSHRMAPTSMN1; SMN2
SCHEMBL13851862 0.84 TDP1 (0.42) RAB9AUSP2TSHRMAPTSMN1; SMN2
SCHEMBL4871015 0.83 TSHR (0.40) RAB9ATSHRMAPTSMN1; SMN2ACHE
SCHEMBL14268976 0.83 HTR1A (0.44) RAB9AUSP2TSHRMAPTSMN1; SMN2
SCHEMBL14268981 0.82 CYP11B1 (0.44)
SCHEMBL4862725 0.82 HTR1A (0.43) USP2TSHRHTR1AACHE
SCHEMBL4163594 0.81 HPGDS (0.42) RAB9AKDM4EMAPTSMN1; SMN2ACHE
SCHEMBL4160766 0.81 TDP1 (0.41) RAB9AMAPTSMN1; SMN2
SCHEMBL4868781 0.81 CYP11B1 (0.43)

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 12 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
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US 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
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD RAB9A 1736/4885KDM4E 74/4885USP2 4075/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI RAB9A 1361/4885KDM4E 45/4885USP2 3392/4885

“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.