SCHEMBL1677450

SCHEMBL1677450

O=C(c1sc(-c2nc3c([nH]2)CCCC3)nc1-c1ccco1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ADORA3 P0DMS8 6/20 0.34
▸ ADORA2A P29274 6/20 0.34
▸ ADORA2B P29275 6/20 0.34
▸ ADORA1 P30542 6/20 0.34
▸ EEF2K O00418 3/20 0.34
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL3054273 0.89 KDM4E (0.36) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1678113 0.81 CHEK2 (0.41) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1677387 0.79 POLB (0.39) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1678319 0.79 ADORA2A (0.40) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1677247 0.76 POLB (0.38) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1677411 0.76 ADORA2A (0.48) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL846080 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1255819 0.73 ADORA2A (0.60) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1677978 0.73 RAB9A (0.38) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL1257189 0.73 L3MBTL1 (0.49) ALDH1A1KDM4EMAPTPOLBMEN1

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 ALDH1A1 638/4885KDM4E 2896/4885MAPT 2204/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 ALDH1A1 1449/4885KDM4E 4236/4885MAPT 3668/4885

“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.

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