SCHEMBL144188

SCHEMBL144188

Oc1cccc2cc[c]nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.52
TSHR P16473 2/20 0.50
MMP2 P08253 1/20 0.50
CHRM1 P11229 1/20 0.50
COMT P21964 1/20 0.50
ADRA1A P35348 1/20 0.50
METAP1 P53582 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PLAU P00749 1/20 0.47
NCF1 P14598 1/20 0.47
ALOX12 P18054 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL2304470 0.75 METAP2 (0.38) METAP2ALDH1A1GAARAB9ALMNA
SCHEMBL1828724 0.75 CYP1A2 (0.37) ALDH1A1CYP1A2HPGDKMT2AGAA
SCHEMBL1828122 0.75 SMN1; SMN2 (0.36) METAP2TSHRALDH1A1HPGDKDM4E
SCHEMBL10476670 0.75 BACE1 (0.47) METAP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5748085 0.75 GABRA1 (0.42) METAP2KMT2ALMNA
SCHEMBL4467203 0.75 MCHR1 (0.51) ALDH1A1CYP3A4KMT2ARAB9AMAPT
SCHEMBL68795 0.74 CCR1 (0.39) TSHRMMP2CYP3A4HIF1AKDM4E
SCHEMBL8487622 0.73 ALDH1A1 (0.47) TSHRALOX12ALDH1A1HPGDHSD17B10
SCHEMBL4810494 0.72 ALDH1A1 (0.43) METAP2TSHRMETAP1ALOX12ALDH1A1
SCHEMBL669119 0.72 POLB (0.38) METAP2

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 1132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111689944-A Quinoline tryptamine heterozygote and application thereof in preparation of medicine for treating Alzheimer disease 中山大学 2020-09-22 CN claimed
CN-107880153-B 6-carboxyl chitosan aromatic quaternary ammonium salt derivative and preparation and application thereof 中国科学院海洋研究所 2020-05-05 CN claimed
US-9732227-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2017-08-15 US claimed
US-20160075880-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORPORATION 2016-03-17 US claimed
US-20140100354-A1 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2014-04-10 US claimed
US-8455643-B2 8-hydroxyquinoline-based white-light-emitting organic electroluminescent material TAIYUAN UNIVERSITY OF TECHNOLOGY (CN) 2013-06-04 US claimed
US-20110263856-A1 8-HYDROXYQUINOLINE-BASED WHITE-LIGHT-EMITTING ORGANIC ELECTROLUMINESCENT MATERIAL TAIYUAN UNIVERSITY OF TECHNOLOGY (CN) 2011-10-27 US claimed
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US claimed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US claimed
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0991645-A1 BIS-INDOLE DERIVATIVES HAVING ANTIMETASTATIC ACTIVITY, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 2000-04-12 EP claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
WO-1999000381-A1 BIS-INDOLE DERIVATIVES HAVING ANTIMETASTATIC ACTIVITY, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1999-01-07 WO claimed
EP-0887348-A1 Bis-Indole derivatives having antimetastatic activity, a process for their preparation and pharmaceutical compositions containing them Boehringer Mannheim Italia S.p.A. (IT) 1998-12-30 EP claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-4212802-A GRAY SHADES SANDOZ LTD. (CH) 1980-07-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20140100354-A1 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME PEPD, NGLY1, ANPEP METAP2 364/4885TSHR 3167/4885MMP2 746/4885
US-20100292266-A1 Oxazolyl Piperidine Modulators of Fatty Acid Amide Hydrolase FAAH, FAAH2, APEH METAP2 1059/4885TSHR 2385/4885MMP2 1104/4885
US-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP METAP2 364/4885TSHR 3167/4885MMP2 746/4885
US-20110263856-A1 8-HYDROXYQUINOLINE-BASED WHITE-LIGHT-EMITTING ORGANIC ELECTROLUMINESCENT MATERIAL OCIAD1, OCIAD2, EHD1 METAP2 4781/4885TSHR 4758/4885MMP2 2218/4885

“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.