SCHEMBL621741

SCHEMBL621741

COc1ccc2ncc(NC(=O)OC(C)(C)C)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PABPC1 P11940 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPT P10636 2/20 0.39
MAPKAPK2 P49137 3/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ACSS2 Q9NR19 1/20 0.39

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
SCHEMBL31391915 1.00 MAP4K4 (0.43) MAP4K4HDAC4HDAC1KMT2AMEN1
SCHEMBL15885335 0.85 MAPKAPK2 (0.45) MAP4K4HDAC4HDAC1HDAC3HDAC7
SCHEMBL6312640 0.80 ALDH1A1 (0.53) MAP4K4HDAC4HDAC1HDAC3HDAC7
SCHEMBL2748441 0.80 KMT2A (0.58) KMT2AMEN1PABPC1MAPTNAMPT
SCHEMBL29764668 0.80 KMT2A (0.58) KMT2AMEN1PABPC1MAPTNAMPT
SCHEMBL23619774 0.78 CA12 (0.40) MAP4K4HDAC1KMT2AMEN1HDAC3
SCHEMBL2730100 0.78 NAMPT (0.49) MAP4K4HDAC4HDAC1HDAC3HDAC7
SCHEMBL846497 0.77 CNR2 (0.47) MAP4K4HDAC4HDAC1HDAC3HDAC7
SCHEMBL14784253 0.77 SYK (0.47) MAP4K4HDAC4HDAC1KMT2AMEN1
SCHEMBL20366862 0.77 MAP4K4 (0.45) MAP4K4HDAC4KMT2AMAPKAPK2NAMPT

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
CN-116528857-A MALT-1 modulators 艾克斯赛安西娅人工智能有限公司 2023-08-01 CN disclosed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 MAP4K4 3562/4885HDAC4 1538/4885HDAC1 1300/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAP4K4 2946/4885HDAC4 538/4885HDAC1 533/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAP4K4 2946/4885HDAC4 538/4885HDAC1 533/4885

“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.