SCHEMBL3781934

SCHEMBL3781934

O=C(COc1ccccc1)Nc1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PARP1 P09874 3/20 0.47
MAPK8 P45983 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LRRK2 Q5S007 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB1 P08183 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
SCHEMBL3773083 0.89 LRRK2 (0.46) GAAPARP1MAPK8LRRK2MEN1
SCHEMBL3780416 0.85 LRRK2 (0.48) MAPK8LRRK2
SCHEMBL13006074 0.85 GRM4 (0.47) PARP1NPC1RAB9ALRRK2MAPT
SCHEMBL13006092 0.84 LRRK2 (0.45) LMNALRRK2MEN1KMT2ASMN1; SMN2
SCHEMBL3762154 0.84 LRRK2 (0.53) LMNALRRK2
SCHEMBL3769308 0.83 LRRK2 (0.48) PARP1LRRK2
SCHEMBL381702 0.82 LRRK2 (0.48) PARP1LRRK2
SCHEMBL3772990 0.82 LRRK2 (0.43) PARP1LRRK2
SCHEMBL3772259 0.81 SMN1; SMN2 (0.44) GAAPARP1LMNANPC1RAB9A
SCHEMBL3775223 0.81 LRRK2 (0.44) PARP1MAPK8LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 GAA 4537/4885PARP1 2278/4885MAPK8 1739/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 GAA 4532/4885PARP1 2269/4885MAPK8 1759/4885

“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.