SCHEMBL2244547

SCHEMBL2244547

COc1ccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
FAAH O00519 1/20 0.55
LMNA P02545 3/20 0.54
PKM P14618 3/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 2/20 0.53
MTNR1A P48039 3/20 0.53
KDM4E B2RXH2 2/20 0.52
MTNR1B P49286 2/20 0.52
CYP1A1 P04798 1/20 0.52
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52

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
SCHEMBL29454821 0.88 HTR2A (0.66) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL678456 0.88 HTR2A (0.66) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL2241359 0.87 HTR2A (0.57) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL2242091 0.86 HTR2A (0.60) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL2243980 0.85 KMT2A (0.62) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL6408868 0.84 HTR2A (0.61) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL2243718 0.80 HTR2A (0.65) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL2243480 0.77 CDK2 (0.73) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL11956684 0.77 KMT2A (0.62) HTR2AMEN1KMT2AMAPTALDH1A1
SCHEMBL2246486 0.77 HTR2A (0.62) HTR2AMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTR2A 70/4885MEN1 4127/4885KMT2A 112/4885
US-20100048663-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents KYNU, KMO, GRIN1 HTR2A 70/4885MEN1 4127/4885KMT2A 112/4885
US-20110319494-A1 Substituted Aryl-Indole Compounds and Their Kynurenine/Kynuramine-Like Metabolites As Therapeutic Agents KYNU, KMO, GRIN1 HTR2A 70/4885MEN1 4127/4885KMT2A 112/4885

“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.