SCHEMBL2705397

SCHEMBL2705397

CC(C)(C)c1ccc2oc(C(C)(C)C)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ELANE P08246 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
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
SCHEMBL10224644 0.77 GAA (0.37) KDM4EMAPT
SCHEMBL25994284 0.75 ELANE (0.35) LMNAELANEATML3MBTL1
SCHEMBL10220689 0.72 NPC1 (0.46) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL15935294 0.72 ELANE (0.34) LMNAELANEATML3MBTL1
SCHEMBL23456596 0.69 TSHR (0.32) KDM4EALDH1A1
SCHEMBL10173403 0.69 ELANE (0.42) LMNAELANEKDM4EALDH1A1MAPT
SCHEMBL21025577 0.69 DYRK1A (0.31)
SCHEMBL12301097 0.68 RAB9A (0.54) LMNAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL14866999 0.68 LMNA (0.32) LMNAELANE
SCHEMBL13587135 0.67 LMNA (0.43) LMNAELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
US-9475783-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-25 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150031694-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-01-29 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 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-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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 LMNA 3250/4885ELANE 2765/4885KDM4E 819/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 LMNA 1817/4885ELANE 1818/4885KDM4E 2407/4885
US-20150031694-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ABCB11 LMNA 3698/4885ELANE 109/4885KDM4E 3955/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 LMNA 2877/4885ELANE 2222/4885KDM4E 1251/4885
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 LMNA 4744/4885ELANE 2950/4885KDM4E 3367/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 LMNA 3009/4885ELANE 4516/4885KDM4E 412/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 LMNA 1817/4885ELANE 1818/4885KDM4E 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.