SCHEMBL1677312

SCHEMBL1677312

Cc1ncc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCSCC3)s2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 2/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA2A P29274 7/20 0.43
ADORA1 P30542 7/20 0.43
ADORA3 P0DMS8 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 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
SCHEMBL1255746 0.91 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL879437 0.91 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL1255719 0.86 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL1256293 0.85 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL20057578 0.83 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL18801169 0.82 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1MEN1POLB
Sipagladenant SCHEMBL879438 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL19075005 0.81 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL846810 0.80 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1MEN1POLB
SCHEMBL1256230 0.79 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-1921077-A1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-14 EP 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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 L3MBTL1 1732/4885KDM4E 2896/4885ALDH1A1 638/4885

“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.