SCHEMBL6563111

SCHEMBL6563111

Cc1nc(-c2cccc(CNCC(C)C)c2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
DAO P14920 1/20 0.48
S1PR1 P21453 1/20 0.47
MAP4K4 O95819 1/20 0.47
CTSD P07339 2/20 0.45
MET P08581 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
SLC6A4 P31645 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39

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
Hydrochloric Acid SCHEMBL6564537 0.99 L3MBTL1 (0.56) L3MBTL1DAOS1PR1MAP4K4CTSD
SCHEMBL6563104 0.85 L3MBTL1 (0.62) L3MBTL1DAOCTSDMETNPC1
SCHEMBL1075209 0.82 L3MBTL1 (0.66) L3MBTL1DAOMETNPC1RAB9A
SCHEMBL13197072 0.82 L3MBTL1 (0.66) L3MBTL1DAOS1PR1CTSDMET
SCHEMBL6563006 0.81 L3MBTL1 (0.56) L3MBTL1DAOCTSDMETNPC1
Hydrochloric Acid SCHEMBL31346661 0.80 L3MBTL1 (0.62) L3MBTL1DAOCTSDMETNPC1
SCHEMBL25488452 0.79 L3MBTL1 (0.60) L3MBTL1DAOMETNPC1RAB9A
SCHEMBL6564261 0.79 L3MBTL1 (0.60) L3MBTL1DAONPC1RAB9ASMN1; SMN2
SCHEMBL6985892 0.78 L3MBTL1 (0.59) L3MBTL1DAOCTSDMETNPC1
SCHEMBL6565112 0.78 L3MBTL1 (0.59) L3MBTL1DAOCTSDMETKMT2A

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 2292/4885DAO 436/4885S1PR1 1435/4885

“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.