SCHEMBL477222

SCHEMBL477222

[CH2]CN1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2D6 P10635 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
PKM P14618 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.37
SLC18A3 Q16572 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 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
SCHEMBL13833159 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL235856 0.85
SCHEMBL3971866 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL154974 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3947863 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3947840 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL11139073 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3970199 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL15993888 0.82
Fluoride SCHEMBL11255187 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed
CN-107973788-B BBI608 derivative and preparation and application thereof 沈阳药科大学 2021-07-09 CN disclosed
CN-102448958-B Pyrimidyl and 1,3,5-triazines base benzimidazole sulfonamides and its purposes in cancer therapy VETDC, INC. (US) 2015-10-21 CN disclosed
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP disclosed
US-9108980-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2015-08-18 US disclosed
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2015-02-05 US disclosed
US-8772287-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2014-07-08 US disclosed
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2013-10-31 US disclosed
US-8461158-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-06-11 US disclosed
CN-102448958-A Pyrimidinyl and 1,3, 5-triazinyl benzimidazole sulfonamides and their use in the treatment of cancer PATHWAY THERAPEUTICS LTD 2012-05-09 CN disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
EP-0166697-B1 AROYL SUBSTITUTED DIHYDRO-1,4-THIAZINES CIBA-GEIGY AG (CH) 1990-05-09 EP disclosed
US-4728644-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-03-01 US disclosed
US-4622322-A ANTIRHEUMATIC AGENTS CIBA-GEIGY CORPORATION (US) 1986-11-11 US disclosed
EP-0168500-A1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-01-22 EP disclosed
EP-0166697-A2 Aroyl substituted dihydro-1,4-thiazines CIBA-GEIGY AG (CH) 1986-01-02 EP disclosed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-4002638-A ANALGESICS, MUSCLE RELAXANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-01-11 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US 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 (2 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-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS ALDH1A1 318/4885KDM4E 2535/4885KMT2A 2933/4885
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS ALDH1A1 318/4885KDM4E 2535/4885KMT2A 2933/4885

“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.