SCHEMBL2243473

SCHEMBL2243473

O=[N+]([O-])c1cc(Br)ccc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
PKM P14618 3/20 0.72
LMNA P02545 2/20 0.72
MAPT P10636 2/20 0.72
MAPK1 P28482 1/20 0.72
HTT P42858 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
CDK2 P24941 10/20 0.68
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
PKLR P30613 1/20 0.51

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
SCHEMBL4652444 0.88 CDK2 (0.74) MEN1KMT2APKMLMNAMAPT
SCHEMBL8222876 0.87 PKM (0.72) MEN1KMT2APKMLMNAMAPT
SCHEMBL2243271 0.86 MAPT (0.71) MEN1KMT2APKMLMNAMAPT
SCHEMBL2243629 0.84 CDK2 (0.71) MEN1KMT2APKMLMNAMAPT
SCHEMBL2241359 0.83 HTR2A (0.57) MEN1KMT2APKMLMNAMAPT
SCHEMBL4651601 0.83 CDK2 (0.79) MEN1KMT2APKMLMNAMAPT
SCHEMBL18531434 0.82 CDK2 (0.68) MEN1KMT2APKMLMNAMAPT
SCHEMBL18531470 0.81 MAPT (0.64) MEN1KMT2APKMLMNAMAPT
SCHEMBL5579691 0.77 KMT2A (0.63) KMT2ACDK2
SCHEMBL5579686 0.77 KMT2A (0.63) KMT2ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086932-B1 SUBSTITUTED ARYL-INDOLE COMPOUNDS AND THEIR KYNURENINE/KYNURAMINE-LIKE METABOLITES AS THERAPEUTIC AGENTS NEURIM PHARMA 1991 (IL) 2014-08-27 EP claimed
CN-101528689-B Substituted aryl indole compounds and their kynurenine/kynuramine metabolites as therapeutic agents NEURIM PHARMA 1991 2013-04-24 CN claimed
US-20100048663-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2010-02-25 US claimed
US-7622495-B2 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2009-11-24 US claimed
EP-2086932-B1 SUBSTITUTED ARYL-INDOLE COMPOUNDS AND THEIR KYNURENINE/KYNURAMINE-LIKE METABOLITES AS THERAPEUTIC AGENTS NEURIM PHARMA 1991 (IL) 2014-08-27 EP disclosed
EP-2086932-B1 SUBSTITUTED ARYL-INDOLE COMPOUNDS AND THEIR KYNURENINE/KYNURAMINE-LIKE METABOLITES AS THERAPEUTIC AGENTS NEURIM PHARMA 1991 (IL) 2014-08-27 EP disclosed
EP-2664615-A1 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LIMITED (IL) 2013-11-20 EP disclosed
CN-101528689-B Substituted aryl indole compounds and their kynurenine/kynuramine metabolites as therapeutic agents NEURIM PHARMA 1991 2013-04-24 CN disclosed
US-8236858-B2 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2012-08-07 US disclosed
US-8236858-B2 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2012-08-07 US disclosed
US-8236858-B2 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2012-08-07 US disclosed
US-20110319494-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2011-12-29 US disclosed
US-7622495-B2 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2009-11-24 US disclosed
US-7622495-B2 Substituted aryl-indole compounds and their kynurenine/kynuramine-like metabolites as therapeutic agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2009-11-24 US disclosed
CN-101528689-A Substituted aryl indole compounds and their kynurenine/kynuramine metabolites as therapeutic agents NEURIM PHARMA 1991 (IL) 2009-09-09 CN disclosed
EP-2086932-A2 SUBSTITUTED ARYL-INDOLE COMPOUNDS AND THEIR KYNURENINE/KYNURAMINE-LIKE METABOLITES AS THERAPEUTIC AGENTS NEURIM PHARMACEUTICALS (1991) LIMITED (IL) 2009-08-12 EP disclosed
US-20080132559-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2008-06-05 US disclosed
US-20080132559-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2008-06-05 US disclosed
US-20080132559-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2008-06-05 US disclosed
WO-2008041140-A2 SUBSTITUTED ARYL-INDOLE COMPOUNDS AND THEIR KYNURENINE/KYNURAMINE-LIKE METABOLITES AS THERAPEUTIC AGENTS NEURIM PHARMACEUTICALS (1991) LTD. (US) 2008-04-10 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-20080132559-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents KYNU, KMO, GRIN1 MEN1 4127/4885KMT2A 112/4885PKM 280/4885
US-20100048663-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents KYNU, KMO, GRIN1 MEN1 4127/4885KMT2A 112/4885PKM 280/4885
US-20110319494-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents KYNU, KMO, GRIN1 MEN1 4127/4885KMT2A 112/4885PKM 280/4885

“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.