SCHEMBL4873669

SCHEMBL4873669

O=C1c2ccccc2C(=O)N1Cn1cnc(-c2cnccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP1A2 P05177 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CYP17A1 P05093 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
SCHEMBL14269007 0.87 ALDH1A1 (0.41) MEN1KMT2AKDM4EHPGDCYP3A4
SCHEMBL14268956 0.81 CYP2E1 (0.42) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL4867872 0.78 HPGDS (0.41) MEN1KMT2AKDM4ECYP3A4CYP2C19
SCHEMBL14268951 0.77 CYP2E1 (0.46) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL4867115 0.72 HPGDS (0.39) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL4863313 0.72 CYP2E1 (0.44) MEN1KMT2AHPGDCYP3A4CYP2C19
SCHEMBL14268985 0.71 CYP2E1 (0.36) MEN1KMT2AKDM4ECYP3A4CYP2C19
SCHEMBL14269008 0.71 CYP2E1 (0.42) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL4867189 0.70 KDM4E (0.42) KDM4ECYP3A4CYP2C19CYP2E1CYP2A6
SCHEMBL27835090 0.69 CYP2E1 (0.35) CYP3A4CYP2C19CYP2D6CYP2E1CYP2A6

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
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 MEN1 3279/4885KMT2A 2250/4885KDM4E 74/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI MEN1 3666/4885KMT2A 672/4885KDM4E 45/4885

“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.