SCHEMBL4125936

SCHEMBL4125936

O=C(O)c1cccc(NC(=O)c2ccc3c(c2)nc(-c2ccc4nc(-c5ccccc5)ccc4c2)n3C2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 2/20 0.45
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
BMPR2 Q13873 1/20 0.43
EGFR P00533 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
BCAT2 O15382 1/20 0.41

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
SCHEMBL4129971 0.94 L3MBTL1 (0.48) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL4128616 0.91 L3MBTL1 (0.44) L3MBTL1MAPTCYP3A4CYP1A2CYP2D6
SCHEMBL4125294 0.90 L3MBTL1 (0.58) L3MBTL1NR1H4HDAC6HDAC1HDAC8
SCHEMBL4125216 0.90 L3MBTL1 (0.43) L3MBTL1RXFP1CYP3A4CYP1A2CYP2D6
SCHEMBL4122761 0.89 L3MBTL1 (0.57) L3MBTL1NR1H4HDAC6HDAC1HDAC8
SCHEMBL4131184 0.89 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL14404934 0.87 L3MBTL1 (0.54) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL13905149 0.87 L3MBTL1 (0.45) L3MBTL1NR1H4CYP3A4CYP1A2CYP2D6
SCHEMBL14382881 0.87 L3MBTL1 (0.55) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL4120836 0.86 CYP3A4 (0.45) L3MBTL1MEN1KMT2ANR1H4TP53

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 9 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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 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
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885MEN1 4832/4885NPC1 149/4885
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 L3MBTL1 1498/4885MEN1 402/4885NPC1 171/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885MEN1 4832/4885NPC1 149/4885

“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.