SCHEMBL656958

SCHEMBL656958

O=C(O)c1csc(-c2cccs2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ACHE P22303 1/20 0.51
HPGDS O60760 1/20 0.51

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
Hydrochloric Acid SCHEMBL6822052 0.98 KDM4E (0.97) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL289685 0.89 KDM4E (0.80) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL27906338 0.88 KDM4E (0.78) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL3065986 0.85 KDM4E (0.73) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL2691717 0.85 KDM4E (0.73) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL23792544 0.85 KDM4E (0.73) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL352098 0.81 KDM4E (0.68) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL25474267 0.81 KDM4E (0.68) KDM4ERAB9AMEN1KMT2AMAPT
SCHEMBL6786585 0.79 ALDH1A1 (0.63) KDM4ETDP1L3MBTL1ALDH1A1HDAC1
SCHEMBL5757892 0.77 KDM4E (0.62) KDM4ERAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US claimed
CN-103145711-A Azaadamantane ester and carbamate derivatives and methods of use thereof ABBOTT LAB 2013-06-12 CN claimed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP claimed
EP-2129672-B1 AZAADAMANTANE ESTER AND CARBAMATE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LAB (US) 2011-05-18 EP claimed
CN-101641355-A Azaadamantane ester and carbamate derivatives and methods of use thereof ABBOTT LAB US 2010-02-03 CN claimed
CN-101309922-A Amino-aza-adamantane derivatives and methods of use ABBOTT LAB (US) 2008-11-19 CN claimed
EP-1926731-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-04 EP claimed
JP-2007534719-A 2007-11-29 JP claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
WO-2007038058-A2 AMINO-AZA-ADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-04-05 WO claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed
US-10398680-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-09-03 US disclosed
US-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Education, on behalf of the Univ of Nevada, Reno (US) 2019-08-08 US disclosed
US-10272069-B2 Methods of treating muscular dystrophy BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-04-30 US disclosed
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 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 (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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 KDM4E 1441/4885RAB9A 908/4885MEN1 2888/4885
US-10272069-B2 Methods of treating muscular dystrophy ITGB7, ITGA2B, ITGB1 KDM4E 3012/4885RAB9A 1131/4885MEN1 4859/4885
US-10398680-B2 Methods of treating muscular dystrophy ITGB7, ITGA2B, ITGB1 KDM4E 3012/4885RAB9A 1131/4885MEN1 4859/4885
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 KDM4E 2024/4885RAB9A 445/4885MEN1 3500/4885
US-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 KDM4E 3012/4885RAB9A 1131/4885MEN1 4859/4885

“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.