SCHEMBL13958739

SCHEMBL13958739

CNc1ccccc1C(=O)NC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ ATM Q13315 1/20 0.55
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42

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
SCHEMBL6748722 0.84 MAPT (0.61) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL22657843 0.82 KMT2A (0.49) KDM4EPOLBATMMAPTMEN1
SCHEMBL5509932 0.82 CYP2C19 (0.57) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15635563 0.82 NPC1 (0.50) KDM4EPOLBATMMAPTMEN1
SCHEMBL2061071 0.80 POLB (0.62) KDM4EPOLBATMKMT2ASMN1; SMN2
SCHEMBL29490795 0.80 KMT2A (0.47) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12700111 0.80 KMT2A (0.47) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7757842 0.77 KDM4E (0.59) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL162827 0.77 MAPT (0.54) KDM4EPOLBMAPTMEN1KMT2A
SCHEMBL960781 0.77 KDM4E (0.58) KDM4EPOLBATMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KDM4E 4432/4885POLB 1881/4885ATM 4669/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KDM4E 4432/4885POLB 1881/4885ATM 4669/4885

“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.

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