SCHEMBL4255346

SCHEMBL4255346

CCOC(=O)C(=O)c1cnccc1NC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TP53 P04637 1/20 0.41
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CETP P11597 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL31547757 1.00 TSHR (0.45) TSHRTP53KDM4EL3MBTL1LMNA
SCHEMBL4254113 0.90 TSHR (0.43) TSHRTP53KDM4EL3MBTL1MAPT
SCHEMBL5484930 0.85 CYP17A1 (0.42) TP53RAB9A
SCHEMBL18897071 0.85 TSHR (0.40) TSHRKDM4EL3MBTL1LMNAMAPT
SCHEMBL5739797 0.81 TSHR (0.51) TSHRKDM4EL3MBTL1LMNACYP3A4
SCHEMBL17323701 0.81 GAA (0.41) KDM4EL3MBTL1LMNAMAPTCYP3A4
SCHEMBL13460756 0.80 TP53 (0.36) TSHRTP53KDM4EMAPTALDH1A1
SCHEMBL5857898 0.80 CTDSP1 (0.40) TSHRTP53KDM4EL3MBTL1LMNA
SCHEMBL7095359 0.78 TSHR (0.57) TSHRKDM4EL3MBTL1LMNACYP3A4
SCHEMBL15904213 0.78 GPR35 (0.39) KDM4EL3MBTL1LMNAMAPTCYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1709045-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-10-11 EP disclosed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 US disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 WO disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 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 (4 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-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS TSHR 4007/4885TP53 4544/4885KDM4E 4721/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS TSHR 4007/4885TP53 4544/4885KDM4E 4721/4885
US-20050171141-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 TSHR 49/4885TP53 4506/4885KDM4E 4060/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 TSHR 49/4885TP53 4506/4885KDM4E 4060/4885

“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.