SCHEMBL1677351

SCHEMBL1677351

COc1ccc(-c2c[nH]c(-c3nc(-c4ccco4)cs3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ CYP19A1 P11511 3/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL6693565 0.84 MAPT (0.59) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL11771726 0.72 KDM4E (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1677978 0.72 RAB9A (0.38) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL650259 0.70 NPC1 (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7142078 0.70 NPC1 (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1180215 0.70 MAPT (0.84) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL7253210 0.69 CYP19A1 (0.72) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL17279819 0.69 NPC1 (0.50) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL10752291 0.68 CYP19A1 (0.60) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL3685934 0.68 TAAR1 (0.55) MAPTALDH1A1RAB9ASMN1; SMN2MEN1

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 MAPT 2204/4885ALDH1A1 638/4885RAB9A 1949/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 MAPT 3668/4885ALDH1A1 1449/4885RAB9A 1665/4885

“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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