SCHEMBL846258

SCHEMBL846258

CC(C)OCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 2/20 0.40
ADORA2A P29274 6/20 0.39
ADORA1 P30542 6/20 0.39
USP2 O75604 3/20 0.39
HPGD P15428 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL20057575 0.93 KDM4E (0.40) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL846336 0.91 ADORA2A (0.43) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL846068 0.90 KDM4E (0.42) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL879472 0.89 ADORA2A (0.40) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL846130 0.87 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL19407483 0.87 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL19407357 0.87 PLTP (0.41) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL19112468 0.85 ADORA2A (0.37) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL1254725 0.84 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1POLBMAPT
SCHEMBL846745 0.84 ROCK2 (0.47) L3MBTL1KDM4EALDH1A1POLBMAPT

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
EP-3378860-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2018-09-26 EP disclosed
EP-2433938-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 US disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 EP disclosed
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 EP disclosed
WO-2011027806-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS 協和発酵キリン株式会社 (JP) 2011-03-10 WO disclosed
WO-2011027805-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS 協和発酵キリン株式会社 (JP) 2011-03-10 WO disclosed
WO-2010126082-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS 協和発酵キリン株式会社 (JP) 2010-11-04 WO 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 (5 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-10407440-B2 Therapeutic agent for motor disorders DDT, COMT, SLC6A3 L3MBTL1 699/4885KDM4E 4721/4885ALDH1A1 216/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 L3MBTL1 699/4885KDM4E 4721/4885ALDH1A1 216/4885
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 L3MBTL1 1461/4885KDM4E 3799/4885ALDH1A1 32/4885
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 L3MBTL1 699/4885KDM4E 4721/4885ALDH1A1 216/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 L3MBTL1 1461/4885KDM4E 3799/4885ALDH1A1 32/4885

“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.