SCHEMBL4871045

SCHEMBL4871045

COC(=O)C=CC(C)(C)n1cnc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 4/20 0.38
MEN1 O00255 2/20 0.38
PABPC1 P11940 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.35
TNF P01375 1/20 0.34

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
SCHEMBL4871042 1.00 MAPT (0.42) MAPTPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL4865112 0.80 KDM4E (0.36) POLBKMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL4865116 0.80 KDM4E (0.36) POLBKMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL8931408 0.74 TP53 (0.41) MAPTKMT2ATP53MEN1PABPC1
SCHEMBL4870560 0.71 LMNA (0.45) MAPTKMT2AKDM4ETP53MEN1
SCHEMBL4867892 0.71 TP53 (0.43) MAPTPOLBKMT2ATP53MEN1
SCHEMBL30814349 0.68 POLB (0.43) MAPTPOLBKMT2ATP53MEN1
SCHEMBL1408334 0.68 MAPT (0.58) MAPTPOLBKMT2ATP53MEN1
SCHEMBL16879925 0.68 METAP1 (0.40) MAPTPOLBKMT2ATP53MEN1
SCHEMBL16879924 0.68 MAPT (0.40) MAPTPOLBKMT2ASMN1; SMN2TP53

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 6 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-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US 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 MAPT 3247/4885POLB 1802/4885KMT2A 2250/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL MAPT 4688/4885POLB 3686/4885KMT2A 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.