SCHEMBL927627

SCHEMBL927627

Brc1cc(-c2ccccc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALAD P13716 1/20 0.41
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL9191462 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL23773782 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1NOTUMNPC1RAB9A
SCHEMBL7915311 0.73 HSD17B1 (0.61) ALDH1A1HDAC6CYP2E1CYP2A6CYP2B6
SCHEMBL21774322 0.73 ALAD (0.40) ALDH1A1ALADCYP2A6KDM4E
SCHEMBL883778 0.71 ALDH1A1 (0.44) ALDH1A1HDAC6CYP2E1CYP2A6CYP2B6
SCHEMBL5695918 0.71 ALDH1A1 (0.43) ALDH1A1MAPK1HDAC6ALADCYP2E1
SCHEMBL2897323 0.71 ALDH1A1 (0.45) ALDH1A1HDAC6CYP2E1CYP2A6CYP2B6
SCHEMBL921077 0.71 HDAC6 (0.47) ALDH1A1MAPK1HDAC6CYP2E1CYP2A6
SCHEMBL196775 0.71 CYP1A2 (0.44) ALDH1A1HDAC6ALADCYP2E1CYP2A6
SCHEMBL8588923 0.70 HDAC6 (0.42) ALDH1A1HDAC6ALADCYP2E1CYP2A6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820191-B Diphenylamine compound and preparation method, application and pharmaceutical composition thereof FUDAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117820191-A Diphenylamine compound and preparation method, application and pharmaceutical composition thereof 复旦大学 2024-04-05 CN disclosed
WO-2021123237-A1 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE Oxford Drug Design Limited (GB) 2021-06-24 WO disclosed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
CN-1706839-B Material containing non-benzenoid aryl spiro and its synthesis and application UNIV FUDAN 2010-05-05 CN disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
CN-101189233-A Substituted diazabicycloalkane derivatives as ligands for the alpha 7 nicotinic acetylcholine receptor ABBOTT LAB (US) 2008-05-28 CN disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP disclosed
CN-1706839-A Non-benzenoid aryl spiro material and its synthesis and application UNIV FUDAN (CN) 2005-12-14 CN disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 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 (3 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 ALDH1A1 353/4885MAPK1 2636/4885HDAC6 123/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 ALDH1A1 584/4885MAPK1 1970/4885HDAC6 310/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 ALDH1A1 272/4885MAPK1 2134/4885HDAC6 431/4885

“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.