SCHEMBL12657296

SCHEMBL12657296

NCc1c2ccccc2c(Cl)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
LOXL2 Q9Y4K0 3/20 0.47
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PNMT P11086 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DPP4 P27487 3/20 0.38
CYP2A6 P11509 3/20 0.38
CYP1A2 P05177 2/20 0.38
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL2249259 0.87 HTR2A (0.67) HTR2ALOXL2ALDH1A1MAPTTAAR1
SCHEMBL31613081 0.87 HTR2A (0.67) HTR2ALOXL2ALDH1A1MAPTTAAR1
SCHEMBL15721675 0.80 HTR2A (0.54) HTR2ALOXL2ALDH1A1MAPTTAAR1
SCHEMBL22778308 0.78 HTR2A (0.56) HTR2ALOXL2ALDH1A1MAPTTAAR1
SCHEMBL29440644 0.78 MAOA (0.58) LOXL2ALDH1A1MAPTMAOAMAOB
SCHEMBL147819 0.78 MAOA (0.58) LOXL2ALDH1A1MAPTMAOAMAOB
SCHEMBL10405240 0.77 L3MBTL1 (0.56) HTR2ALOXL2ALDH1A1MAPTMAOA
SCHEMBL13900828 0.77 HTR2A (0.56) HTR2ALOXL2ALDH1A1MAPTTAAR1
SCHEMBL18963265 0.75 HTR2A (0.54) HTR2ALOXL2ALDH1A1MAPTTAAR1
SCHEMBL18963321 0.75 HTR2A (0.54) HTR2ALOXL2ALDH1A1MAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109078-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. (US) 2022-05-27 WO disclosed
EP-2934563-B1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENT RESEARCH (IN) 2020-07-08 EP disclosed
CN-104981249-B Antimicrobe compound, their synthesis and its application 英国卫生部 2018-06-19 CN disclosed
US-9783490-B2 Antimicrobial compounds, their synthesis and applications thereof THE SECRETARY OF STATE FOR HEALTH (GB) 2017-10-10 US disclosed
US-20150329478-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF THE SECRETARY OF STATE FOR HEALTH (GB) 2015-11-19 US disclosed
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP disclosed
US-7923466-B2 treating in a lengthening of circadian rhythm period with 6-aminomethyl-3-phenylsulfanyl-1H-indole-2-carboxylic acid amide; for treating central nervous system diseases and mood disorders, bipolar disorder and sleep disorders, with an enzyme inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7923466-B2 treating in a lengthening of circadian rhythm period with 6-aminomethyl-3-phenylsulfanyl-1H-indole-2-carboxylic acid amide; for treating central nervous system diseases and mood disorders, bipolar disorder and sleep disorders, with an enzyme inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US disclosed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US disclosed
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 US disclosed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 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-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A3, CSNK1G3, CSNK1G1 HTR2A 90/4885LOXL2 3151/4885ALDH1A1 2354/4885
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1G3, CSNK2A3, CSNK1E HTR2A 74/4885LOXL2 3388/4885ALDH1A1 2132/4885
US-20150329478-A1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF AAAS, DDC, CAT HTR2A 3740/4885LOXL2 1661/4885ALDH1A1 1148/4885

“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.