SCHEMBL6563104

SCHEMBL6563104

Cc1nc(-c2cccc(CNCc3ccccc3)c2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
BRD4 O60885 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
DAO P14920 1/20 0.46
MET P08581 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CTSD P07339 1/20 0.45
HPGDS O60760 2/20 0.45

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
SCHEMBL6985892 0.86 L3MBTL1 (0.59) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL1075209 0.86 L3MBTL1 (0.66) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6563111 0.85 L3MBTL1 (0.57) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6563006 0.84 L3MBTL1 (0.56) L3MBTL1NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL6564537 0.84 L3MBTL1 (0.56) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6565112 0.84 L3MBTL1 (0.59) L3MBTL1KMT2ATSHRFFAR4DAO
Hydrochloric Acid SCHEMBL31346661 0.83 L3MBTL1 (0.62) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL25488452 0.82 L3MBTL1 (0.60) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL10066488 0.81 L3MBTL1 (0.72) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL1300632 0.80 L3MBTL1 (0.70) L3MBTL1NPC1RAB9AKMT2AMEN1

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-20040220411-A1 Oxalic acid derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
EP-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 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 (1 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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 L3MBTL1 2292/4885NPC1 4104/4885RAB9A 2271/4885

“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.