SCHEMBL5226658

SCHEMBL5226658

O=Cc1oc2ccccc2c1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
THRB P10828 1/20 0.53
MAOA P21397 5/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
PGAM1 P18669 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TOP2A P11388 1/20 0.44
PADI4 Q9UM07 1/20 0.41
PTPN1 P18031 1/20 0.39
MAOB P27338 1/20 0.39
NQO1 P15559 1/20 0.38
GAA P10253 1/20 0.38
CYP2A6 P11509 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
SCHEMBL28921519 0.86 MAOA (0.45) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL5794104 0.79 MAOA (0.50) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL15842324 0.78 KDM4E (0.56) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL2016355 0.78 MAOA (0.48) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL1253554 0.78 KDM4E (0.48) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL25403246 0.78 MAOA (0.48) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL25405004 0.78 MAOA (0.48) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL715966 0.78 KDM4E (0.51) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL2448418 0.78 KDM4E (0.51) KDM4ETHRBMAOAALDH1A1GLA
SCHEMBL9653414 0.78 KDM4E (0.55) KDM4ETHRBMAOAALDH1A1GLA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-7067515-B2 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PFIZER INC. (US) 2006-06-27 US disclosed
EP-0997783-B1 Electrophotographic photoreceptor containing oxotitanylphthalocyanine SHARP KK (JP) 2005-12-14 EP disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
EP-1406901-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-04-14 EP disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed
US-6210847-B1 IMPROVE STABILITY AND PHOTOSENSITIVITY CHARACTERISTICS ON REPEATED USE, CHARGE TRANSPORTING SUBSTANCE IS A BISAMINE COMPOUND, AN N,N'-BISENAMINE COMPOUND, A STYRYL COMPOUND, AN AMINE-HYDRAZONE COMPOUND, A BENZOFURAN-BISHYDRAZONE COMPOUND, SHARP KABUSHIKI KAISHA (JP) 2001-04-03 US disclosed
EP-0997783-A2 Crystalline oxotitanylphthalocyanine and electrophotographic photoreceptor using the same SHARP KABUSHIKI KAISHA (JP) 2000-05-03 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 (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-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 KDM4E 1290/4885THRB 334/4885MAOA 241/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 KDM4E 4297/4885THRB 2343/4885MAOA 163/4885

“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.