SCHEMBL1974876

SCHEMBL1974876

CC(=O)OCc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.58
ALDH1A1 P00352 2/20 0.58
MAOB P27338 3/20 0.54
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
ALOX5 P09917 2/20 0.48
FFAR1 O14842 2/20 0.47
PARP10 Q53GL7 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL509590 0.84 ALDH1A1 (0.47) P4HTMALDH1A1NPC1RAB9AFFAR1
SCHEMBL15776018 0.84 CYP4F2 (0.53) P4HTMMAOB
SCHEMBL9263293 0.82 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ACASP3SENP8
SCHEMBL13034091 0.82 ALDH1A1 (0.76) ALDH1A1MAOBNR4A1NR4A2NR4A3
SCHEMBL3300820 0.81 PDE3B (0.42) ALDH1A1FFAR1L3MBTL1HTTACACB
SCHEMBL4166459 0.81 P4HTM (0.63) P4HTMMAOBNR4A1NR4A2NR4A3
SCHEMBL11375563 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AGPR55LMNA
SCHEMBL1572841 0.80 P4HTM (0.54) P4HTMALDH1A1MAOBNPC1RAB9A
SCHEMBL1059319 0.80 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL11878371 0.80 P4HTM (0.49) P4HTMALDH1A1MAOBNR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925762-B1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-10-15 US disclosed
EP-2925762-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM Sunovion Pharmaceuticals Inc. (US) 2015-10-07 EP disclosed
WO-2014085284-A1 TRIAZOLO-PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUNOVION PHARMACEUTICALS INC. (US) 2014-06-05 WO disclosed
US-8609699-B2 Oxotetrahydrofuran-2-yl-benzimidazole derivative MSD K.K. (JP) 2013-12-17 US disclosed
EP-2328892-B1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2013-01-16 EP disclosed
US-20110144162-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
EP-2328892-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE MSD K.K. (JP) 2011-06-08 EP disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
US-6630488-B1 Quinolizinones as integrin inhibitors BIOCHEM PHARMA, INC. (CA) 2003-10-07 US disclosed
EP-1115724-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2001-07-18 EP disclosed
WO-2000017197-A1 QUINOLIZINONES AS INTEGRIN INHIBITORS BIOCHEM PHARMA INC. (US) 2000-03-30 WO disclosed
EP-0313630-B1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1992-09-16 EP disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 EP disclosed
US-3952101-A BETA ADRENERGIC STIMULANT SMITHKLINE CORPORATION (US) 1976-04-20 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-20110144162-A1 OXOTETRAHYDROFURAN-2-YL-BENZIMIDAZOLE DERIVATIVE GCK, GCKR, KHK P4HTM 1139/4885ALDH1A1 823/4885MAOB 2104/4885
US-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN P4HTM 1282/4885ALDH1A1 560/4885MAOB 164/4885

“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.