SCHEMBL1677978

SCHEMBL1677978

COc1ccc(-c2c[nH]c(-c3nc(-c4ccco4)c(C(=O)C4CCOCC4)s3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ PTPN7 P35236 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ MAPT P10636 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ POLB P06746 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL1255727 0.76 RAB9A (0.57) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL1678113 0.74 CHEK2 (0.41) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL1255819 0.74 ADORA2A (0.60) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL1677450 0.73 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL1677411 0.73 ADORA2A (0.48) RAB9ANPC1TDP1HPGDPTPN7
SCHEMBL1677387 0.72 POLB (0.39) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL1677351 0.72 MAPT (0.48) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL1678319 0.72 ADORA2A (0.40) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL846080 0.72 ALDH1A1 (0.49) RAB9ANPC1TDP1SMN1; SMN2HPGD
SCHEMBL1256235 0.71 TRPV4 (0.49) RAB9ANPC1TDP1SMN1; SMN2HPGD

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 RAB9A 1949/4885NPC1 379/4885TDP1 3167/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 RAB9A 1665/4885NPC1 2230/4885TDP1 4401/4885

“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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