SCHEMBL19407486

SCHEMBL19407486

Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(CC3CCOCC3)s2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.44
USP2 O75604 2/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PLTP P55058 2/20 0.41
HPGD P15428 3/20 0.40
BLM P54132 2/20 0.40
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
ROCK2 O75116 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL19407312 0.91 L3MBTL1 (0.44) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19407365 0.90 L3MBTL1 (0.41) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19407504 0.89 L3MBTL1 (0.44) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19407320 0.88 L3MBTL1 (0.40) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19160319 0.86 ROCK2 (0.52) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19155834 0.86 L3MBTL1 (0.41) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19407480 0.85 PLTP (0.42) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19407503 0.84 PLTP (0.41) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL19407327 0.84 L3MBTL1 (0.41) L3MBTL1USP2PLA2G1BATG4BMEN1
SCHEMBL879437 0.84 L3MBTL1 (0.46) L3MBTL1USP2PLA2G1BATG4BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 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 (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-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 L3MBTL1 699/4885USP2 3774/4885PLA2G1B 2187/4885

“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.