SCHEMBL2228237

SCHEMBL2228237

O=C(NCN1CCOCC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CD274 Q9NZQ7 2/20 0.62
HPGD P15428 1/20 0.62
DRD2 P14416 3/20 0.59
DRD4 P21917 3/20 0.59
DRD3 P35462 2/20 0.59
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
EPHX2 P34913 1/20 0.56
MAPT P10636 2/20 0.56
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
HTR1A P08908 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL13280911 0.87 HPGD (0.60) ALDH1A1KDM4ESMN1; SMN2CD274HPGD
Hydrochloric Acid SCHEMBL16654226 0.86 HPGD (0.58) ALDH1A1KDM4ESMN1; SMN2CD274HPGD
SCHEMBL2774517 0.85 DRD4 (0.64) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL13492542 0.84 KMT2A (0.71) ALDH1A1SMN1; SMN2CD274DRD2DRD4
SCHEMBL14864329 0.84 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2CD274DRD2DRD4
SCHEMBL487964 0.84 CD274 (0.84) ALDH1A1KDM4ESMN1; SMN2CD274HPGD
SCHEMBL3174309 0.83 DRD4 (0.62) ALDH1A1DRD2DRD4DRD3KMT2A
SCHEMBL2772319 0.83 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HPGDDRD3KMT2A
SCHEMBL1382764 0.82 SMN1; SMN2 (0.95) ALDH1A1KDM4ESMN1; SMN2CD274HPGD
SCHEMBL12090046 0.81 LMNA (0.58) ALDH1A1CD274HPGDKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
EP-4526291-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER The Board of Regents of the University of Texas System (US) 2025-03-26 EP disclosed
US-20240383884-A1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. 2024-11-21 US disclosed
WO-2023225327-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
EP-3405183-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION Arisan Therapeutics Inc. (US) 2018-11-28 EP disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 WO disclosed
US-8039479-B2 Such as 6-{5-Chloro-4-[2-(propane-2-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-5-isopropoxy-2-piperidin-4-yl-2,3-dihydro-isoindol-1-one; tumors, cancer; inhibition of anaplastic lymphoma, focal adhesion, zeta chain associated protein 70 and/or insulin like growth factor IRM LLC (BM) 2011-10-18 US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
WO-2011085261-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 WO disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
EP-1858898-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2007-11-28 EP disclosed
WO-2006092510-A1 HYDRAZINOCARBONYL-THIENO[2,3-C]PYRAZOLES, PREPARATION METHOD, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2006-09-08 WO disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 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 (8 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-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALDH1A1 2982/4885KDM4E 1924/4885SMN1; SMN2 3061/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ALDH1A1 1065/4885KDM4E 2421/4885SMN1; SMN2 4438/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ALDH1A1 617/4885KDM4E 3357/4885SMN1; SMN2 4217/4885
US-20240383884-A1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE IL2, NFATC1, IL2RA ALDH1A1 3523/4885KDM4E 2011/4885SMN1; SMN2 4518/4885
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT ALDH1A1 3848/4885KDM4E 626/4885SMN1; SMN2 2459/4885
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 ALDH1A1 2982/4885KDM4E 1924/4885SMN1; SMN2 3061/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT ALDH1A1 1148/4885KDM4E 3453/4885SMN1; SMN2 757/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT ALDH1A1 3848/4885KDM4E 626/4885SMN1; SMN2 2459/4885

“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.