SCHEMBL1677411

SCHEMBL1677411

O=C(c1sc(Br)nc1-c1ccco1)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.48
ADORA1 P30542 10/20 0.48
ADORA3 P0DMS8 5/20 0.48
ADORA2B P29275 5/20 0.48
POLB P06746 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 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
SCHEMBL846080 0.87 ALDH1A1 (0.49) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1255819 0.85 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1255858 0.84 KDM4E (0.62) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1255923 0.84 L3MBTL1 (0.54) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL879421 0.83 L3MBTL1 (0.47) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL19160255 0.82 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1257008 0.82 L3MBTL1 (0.50) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL19159779 0.82 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1257189 0.82 L3MBTL1 (0.49) ADORA2AADORA1ADORA3ADORA2BPOLB
SCHEMBL1256305 0.82 L3MBTL1 (0.57) ADORA2AADORA1ADORA3ADORA2BPOLB

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 6 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-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 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
EP-1894930-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-03-05 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 (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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 ADORA2A 525/4885ADORA1 353/4885ADORA3 547/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 ADORA2A 1/4885ADORA1 4/4885ADORA3 2/4885

“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.