SCHEMBL10173403

SCHEMBL10173403

CC(C)(C)c1ccc2nc(C(C)(C)C)oc2n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL12269144 0.77 LMNA (0.33) LMNAPOLBMAPT
SCHEMBL13080778 0.77 ELANE (0.42) ELANELMNAKDM4EPOLB
SCHEMBL23896887 0.73 ELANE (0.40) ELANEKDM4EPOLB
SCHEMBL25885453 0.72 ELANE (0.41) ELANELMNAKDM4EPOLB
SCHEMBL12309182 0.72 ELANE (0.49) ELANEKDM4EPOLBALDH1A1MAPT
SCHEMBL2705397 0.69 LMNA (0.36) ELANELMNAKDM4EALDH1A1MAPT
SCHEMBL15935279 0.69
SCHEMBL12689675 0.69 DYRK1A (0.31)
SCHEMBL14788337 0.69 ELANE (0.38) ELANELMNAKDM4EPOLB
SCHEMBL10220833 0.68 KDM4E (0.56) ELANELMNAKDM4EALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200030442-A1 COMBINATION THERAPIES CAO ZHU ALEXANDER (US) 2020-01-30 US disclosed
US-20170340733-A1 COMBINATION THERAPIES NOVARTIS AG (CH) 2017-11-30 US disclosed
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-8415383-B2 Substituted benzamidines as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-04-09 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 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 (7 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ELANE 2765/4885LMNA 3250/4885KDM4E 819/4885
US-20200030442-A1 COMBINATION THERAPIES BRCA1, TP53, VHL ELANE 839/4885LMNA 2500/4885KDM4E 4340/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ELANE 1818/4885LMNA 1817/4885KDM4E 2407/4885
US-20170340733-A1 COMBINATION THERAPIES BRCA1, TP53, VHL ELANE 839/4885LMNA 2500/4885KDM4E 4340/4885
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 ELANE 2950/4885LMNA 4744/4885KDM4E 3367/4885
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 ELANE 1872/4885LMNA 2129/4885KDM4E 2671/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ELANE 1818/4885LMNA 1817/4885KDM4E 2407/4885

“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.