SCHEMBL42387

SCHEMBL42387

CCCN(CCC)C([NH])=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
CA2 P00918 3/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CA1 P00915 5/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MLYCD O95822 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
P2RX1 P51575 2/20 0.33
P2RX4 Q99571 2/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL292930 0.90 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL291382 0.89
SCHEMBL42635 0.83 CA12 (0.56) CA12CA9CA2TSHRALDH1A1
SCHEMBL293959 0.81 CA12 (0.48) CA12CA9CA2TSHRALDH1A1
SCHEMBL3842358 0.79 CA12 (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL4809167 0.79 CA12 (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL292339 0.79 CA12 (0.50) CA12CA9CA2TSHRALDH1A1
SCHEMBL24374 0.75
SCHEMBL3468211 0.75 CA12 (0.57) CA12CA9CA2TSHRMAPK1
SCHEMBL293544 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530537-B1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-08 EP claimed
US-5403843-A Pyrrolopyrimidinyalglutaminate derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-04 US claimed
EP-0530537-A1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-10 EP claimed
US-20240239778-A1 GRISEOFULVIN COMPOUND AND PHARMACEUTICAL USE THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-07-18 US disclosed
WO-2024148149-A2 COMPOSITIONS AND METHODS FOR CONTROLLING GLUCOSE LEVELS SIRTSEI PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
US-11993593-B2 Griseofulvin compound and pharmaceutical use thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-05-28 US disclosed
WO-2024059705-A1 COMPOSITIONS AND METHODS FOR TREATING DEPRESSION IN FEMALES SIRTSEI PHARMACEUTICALS, INC. (US) 2024-03-21 WO disclosed
WO-2024026443-A1 COMPOSITIONS AND METHODS FOR IMPROVING MEMORY AND COGNITION SIRTSEI PHARMACEUTICALS, INC. (US) 2024-02-01 WO disclosed
WO-2023087632-A1 ANTI-INFLAMMATORY ANALGESIC COMPOUND AND USE THEREOF 江苏新元素医药科技有限公司 2023-05-25 WO disclosed
US-20230136792-A1 COMPOSITIONS AND METHODS FOR TREATING AGE-RELATED DISEASES AND PREMATURE AGING DISORDERS SIRTSEI PHARMACEUTICALS, INC. 2023-05-04 US disclosed
EP-0474561-A1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-11 EP disclosed
EP-0428434-A2 Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1991-05-22 EP disclosed
EP-0400562-A1 Pyrrolopyrimidines, their production and use as tumoricidal agents Takeda Chemical Industries, Ltd. (JP) 1990-12-05 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 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 (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-20230136792-A1 COMPOSITIONS AND METHODS FOR TREATING AGE-RELATED DISEASES AND PREMATURE AGING DISORDERS GLA, PSEN1, GRN CA12 4134/4885CA9 4008/4885CA2 4031/4885
US-20240239778-A1 GRISEOFULVIN COMPOUND AND PHARMACEUTICAL USE THEREOF ACBD3, NR3C1, GRN CA12 3035/4885CA9 3750/4885CA2 2780/4885
US-11993593-B2 Griseofulvin compound and pharmaceutical use thereof ACBD3, GRN, C1S CA12 3029/4885CA9 3730/4885CA2 2741/4885

“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.