SCHEMBL4865112

SCHEMBL4865112

COC(=O)/C=C/C(C)(C)n1cnc2ncccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NFE2L2 Q16236 2/20 0.34
PLCG1 P19174 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
BACE1 P56817 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
IDO1 P14902 3/20 0.32
ASAH1 Q13510 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4865116 1.00 KDM4E (0.36) KDM4EHTTLMNANFE2L2PLCG1
SCHEMBL4871045 0.80 MAPT (0.42) KDM4EHTTLMNANFE2L2KMT2A
SCHEMBL4871042 0.80 MAPT (0.42) KDM4EHTTLMNANFE2L2KMT2A
SCHEMBL12410751 0.73 LTA4H (0.35) KDM4ELMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4868166 0.72 IDO1 (0.37) KDM4EHTTLMNAALDH1A1IDO1
SCHEMBL4867385 0.70 LTA4H (0.35) KMT2AALDH1A1BACE1SLC22A12IDO1
SCHEMBL18188312 0.67 LTA4H (0.35) KMT2ABACE1POLB
SCHEMBL28472077 0.67 POLB (0.43) KDM4EALDH1A1POLB
SCHEMBL21475765 0.65 LTA4H (0.33) BACE1IDO1ASAH1CYP2C9
SCHEMBL3969727 0.64 BACE1 (0.45) KMT2ASMN1; SMN2ALDH1A1BACE1RAB9A

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-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-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
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US 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 KDM4E 74/4885HTT 4317/4885LMNA 1015/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL KDM4E 1173/4885HTT 3390/4885LMNA 1099/4885

“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.