SCHEMBL1037554

SCHEMBL1037554

CCNC1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SHBG P04278 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX1 P07099 2/20 0.40
PABPC1 P11940 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22416728 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL22790769 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL24728 1.00
SCHEMBL11573949 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL22316957 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL1485686 1.00 KDM4E (0.48) KDM4EKCNH2ALDH1A1HSD17B10SHBG
SCHEMBL17041905 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG
Fluoride SCHEMBL9620604 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG
Ammonia Solution, Strong SCHEMBL28857856 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG
Bromide SCHEMBL28155616 0.97 KDM4E (0.46) KDM4EKCNH2ALDH1A1HSD17B10SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011021218-A2 PROCESS FOR THE PREPARATION OF 4-[3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL]-BENZOIC ACID AND ITS AMINE SALTS MSN LABORATORIES LIMITED (IN) 2011-02-24 WO claimed
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP claimed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US claimed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US claimed
EP-1114021-B1 NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2004-07-14 EP claimed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US claimed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP claimed
US-20030120086-A1 New salts of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS D.D. (SI) 2003-06-26 US claimed
US-6583295-B1 Amine salts of such as lovastatin, pravastatin, simvastatin, mevastatin or atorvastatin LEK PHARMACEUTICALS D.D. (SI) 2003-06-24 US claimed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP claimed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US claimed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP claimed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 WO claimed
EP-1114021-A1 NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2001-07-11 EP claimed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 WO claimed
WO-2000017150-A1 NEW SALTS OF HMG-CoA REDUCTASE INHIBITORS LEK PHARMACEUTICAL AND CHEMICAL COMPANY D.D. (DE) 2000-03-30 WO claimed
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-0065843-A1 New M-4 and iso M-4 derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1982-12-01 EP disclosed
US-4003718-A Substituted tetrahydropyrimidines UNIVERSAL OIL PRODUCTS COMPANY (US) 1977-01-18 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 (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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB KDM4E 4355/4885KCNH2 945/4885ALDH1A1 1064/4885
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A KDM4E 534/4885KCNH2 1730/4885ALDH1A1 966/4885
US-20030120086-A1 New salts of HMG-CoA reductase inhibitors HMGCR, COASY, FDPS KDM4E 2323/4885KCNH2 3023/4885ALDH1A1 803/4885

“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.