SCHEMBL2304774

SCHEMBL2304774

CCOC(=O)/C=C/c1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.79
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
KDM4E B2RXH2 4/20 0.79
ATM Q13315 1/20 0.79
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
PKM P14618 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
ALOX12 P18054 1/20 0.60
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58

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
SCHEMBL2304778 1.00 MAPT (0.79) MAPTMEN1KMT2AKDM4EATM
SCHEMBL12426701 1.00 MAPT (0.79) MAPTMEN1KMT2AKDM4EATM
SCHEMBL10624892 0.91 MAPT (0.70) MAPTMEN1KMT2AKDM4EATM
SCHEMBL10624887 0.91 MAPT (0.70) MAPTMEN1KMT2AKDM4EATM
SCHEMBL9164383 0.86 MAPT (0.67) MAPTMEN1KMT2AKDM4EATM
SCHEMBL15486350 0.84 KMT2A (0.62) MAPTMEN1KMT2AKDM4EATM
SCHEMBL15486351 0.84 KMT2A (0.62) MAPTMEN1KMT2AKDM4EATM
SCHEMBL15486688 0.84 MEN1 (0.66) MAPTMEN1KMT2AKDM4EATM
SCHEMBL15245773 0.84 MAPT (0.58) MAPTMEN1KMT2AKDM4EATM
SCHEMBL6046338 0.83 MAPT (0.57) MAPTMEN1KMT2AKDM4EATM

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
US-9624194-B2 Heteroaryl compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-04-18 US disclosed
US-9624194-B2 Heteroaryl compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-04-18 US disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-9181185-B2 Heteroaryl compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-11-10 US disclosed
US-9181185-B2 Heteroaryl compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-11-10 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
US-8906952-B2 Indole derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating metabolic diseases containing same as active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE & BIOTECHNOLOGY (KR) 2014-12-09 US disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-6566533-B1 Reacting aza-heterocyclic compounds (indoles and carbazoles) with alkyl- or aryl-halides in the presence of carbon dioxide and alkali carbonate WARNER-LAMBERT COMPANY LLC 2003-05-20 US disclosed
US-6043247-A A SUBSTITUTED ACRYLIC ACIDS FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, AND PURIFICATION OF PROTEINS OR GLYCOPROTEINS, AND TO THEIR USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
WO-1997039748-A1 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 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 (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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR MAPT 3825/4885MEN1 2532/4885KMT2A 743/4885
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF HSD11B1, HSD11B2, HSD17B1 MAPT 4547/4885MEN1 3676/4885KMT2A 2000/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR MAPT 3825/4885MEN1 2532/4885KMT2A 743/4885

“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.