SCHEMBL14907964

SCHEMBL14907964

CN(C(=O)OC(C)(C)C)c1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.43
PAX8 Q06710 1/20 0.43
NR1H2 P55055 1/20 0.40
ACHE P22303 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
ENPP2 Q13822 1/20 0.38
CREBBP Q92793 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
AOC3 Q16853 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15656810 0.89 ACHE (0.52) BRD4PAX8ACHEF2RL3SLC7A5
SCHEMBL18055477 0.87 BRD4 (0.49) BRD4PAX8F2RL3SLC7A5SIGMAR1
SCHEMBL24449497 0.87 BRD4 (0.49) BRD4PAX8SIGMAR1
SCHEMBL27508311 0.86 BRD4 (0.48) BRD4PAX8F2RL3SLC7A5SIGMAR1
SCHEMBL16856539 0.85 PAX8 (0.49) BRD4LOXL2PAX8NR1H2CREBBP
SCHEMBL13306211 0.84 LOXL2 (0.54) LOXL2ACHESLC7A5SIGMAR1ENPP2
SCHEMBL27542210 0.83 BRD4 (0.46) BRD4PAX8ACHEF2RL3SLC7A5
SCHEMBL14907966 0.82 BRD4 (0.46) BRD4PAX8NR1H2F2RL3ENPP2
SCHEMBL3297083 0.82 BRD4 (0.46) BRD4PAX8NR1H2F2RL3SIGMAR1
SCHEMBL15725251 0.82 BRD4 (0.46) BRD4PAX8F2RL3SLC7A5CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-03-30 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
CN-103189061-A 4- (methylaminophenoxy) pyrdin- 3 - yl - benzamide derivatives for treating cancer OTSUKA PHARMA CO LTD 2013-07-03 CN disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B BRD4 308/4885LOXL2 3076/4885PAX8 3194/4885
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 BRD4 810/4885LOXL2 4413/4885PAX8 4801/4885

“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.