SCHEMBL6444678

SCHEMBL6444678

[CH2]C1CSc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.30
IDO1 P14902 1/20 0.30
HSD17B3 P37058 1/20 0.30

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
SCHEMBL10781695 0.77 ALDH1A1 (0.41) RYR2ALDH1A1MAPTHPGDALOX12
SCHEMBL10585357 0.75 RYR2 (0.37) RYR2ALDH1A1GAAMEN1NPC1
SCHEMBL8822493 0.75 PLAU (0.45) RYR2ALDH1A1GAAMEN1NPC1
SCHEMBL6446024 0.75 RYR2 (0.34) RYR2ALDH1A1MEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL10603702 0.73 PLAU (0.44) RYR2MEN1NPC1KMT2AIDO1
SCHEMBL7073263 0.72 KMT2A (0.42) RYR2MAPTTDP1GAAMEN1
SCHEMBL10346153 0.72 RYR2 (0.35) RYR2ALDH1A1MAPTHPGDALOX12
SCHEMBL315646 0.71 IDO1 (0.46) IDO1
SCHEMBL9214477 0.71 ALDH1A1 (0.47) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL6447242 0.71 RYR2 (0.34) RYR2ALDH1A1HPGDGAAMEN1

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
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
EP-0389425-B1 Benzotiopyranyl amines CIBA GEIGY AG (CH) 1995-04-26 EP disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
US-5071858-A Antipsychotic benzothiopyranylamines CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-5071858-A Antipsychotic benzothiopyranylamines CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed
EP-0389425-A1 Benzotiopyranyl amines CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed
EP-0389425-A1 Benzotiopyranyl amines CIBA-GEIGY AG (CH) 1990-09-26 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 RYR2 1026/4885ALDH1A1 889/4885MAPT 56/4885

“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.