SCHEMBL4130446

SCHEMBL4130446

CC(O)C(NC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)cnc3c1)n2C1CCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
BCAT2 O15382 4/20 0.42
EGFR P00533 3/20 0.41
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL13904917 1.00 CYP3A4 (0.44) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL13904940 0.95 CYP3A4 (0.44) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL4124811 0.95 CYP3A4 (0.44) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL4124574 0.92 CYP3A4 (0.42) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL13904916 0.92 CYP3A4 (0.42) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL4125138 0.92 CYP3A4 (0.48) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL13905120 0.92 CYP3A4 (0.48) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL4125771 0.89 OPRM1 (0.48) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL13904927 0.89 OPRM1 (0.48) CYP3A4L3MBTL1BCAT2EGFRHPGD
SCHEMBL4119194 0.89 CYP3A4 (0.48) CYP3A4L3MBTL1BCAT2EGFRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CYP3A4 52/4885L3MBTL1 1221/4885BCAT2 514/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CYP3A4 52/4885L3MBTL1 1221/4885BCAT2 514/4885

“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.