SCHEMBL3151973

SCHEMBL3151973

COC(=O)c1c(OCCCCl)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.59
ALOX5 P09917 7/20 0.51
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
IDO1 P14902 1/20 0.48
PTPN1 P18031 1/20 0.48
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
KIF11 P52732 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44

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
SCHEMBL7428961 0.89 NR4A2 (0.57) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL4625769 0.86 KDM4E (0.51) NR4A2ALDH1A1KMT2AKDM4ELMNA
SCHEMBL9317997 0.81 NR4A2 (0.69) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL3263245 0.80 ALOX5 (0.60) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL3261338 0.80 NR4A2 (0.56) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL4624897 0.79 NR4A2 (0.44) NR4A2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL3263240 0.78 NR4A2 (0.53) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL8810246 0.77 NR4A2 (0.63) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL3263959 0.76 NR4A2 (0.51) NR4A2ALOX5ALDH1A1KMT2AKDM4E
SCHEMBL5137730 0.75 NR4A2 (1.00) NR4A2ALOX5ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097135-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2008-05-07 EP claimed
US-6946565-B2 Process for the preparation of an indole derivative SMITHKLINE BEECHAM PLC (GB) 2005-09-20 US claimed
US-20040192911-A1 Process for the preparation of an indole derivative SMITHKLINE BEECHAM P.L.C. 2004-09-30 US claimed
EP-1097136-B1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP claimed
US-6583294-B2 Reacting 3-chloro-3-carboxylate indole with 3-chloropropanol in presence of such as trichloroacetic acid to produce methyl 2-(3-chloropropoxy)-indole-3-carboxylate in high yield SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-24 US claimed
US-20030114684-A1 Preparation of methyl 2-(3-chloropropoxy)indole-3-carboxylate by reacting 3-chloro-3-carboxylate indole compound with 3-chloropropanol in presence of acid having pKa of 0-2 SMITHKLINE BEECHAM PLC 2003-06-19 US claimed
US-20030083506-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM P.L.C. 2003-05-01 US claimed
US-20020091271-A1 Process for the preparation of an indole derivative SMITHKLINE BEECHAM PLC 2002-07-11 US claimed
EP-1097136-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 2001-05-09 EP claimed
WO-2000003984-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATE SMITHKLINE BEECHAM PLC (GB) 2000-01-27 WO claimed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
EP-1701951-B1 MODULATORS OF PERIPHERAL 5-HT RECEPTORS SERODUS AS (NO) 2010-02-10 EP disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
WO-2000003984-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATE SMITHKLINE BEECHAM PLC (GB) 2000-01-27 WO disclosed
WO-2000003984-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATE SMITHKLINE BEECHAM PLC (GB) 2000-01-27 WO disclosed
CN-1233250-A Process for the preparation of N-[cl-nButyl-4-piperidyl) methyl-3,4-dihydro-2h-[1,3] oxazino [3,2-a] indole-10-carboxamide and salts and intermediates in the process SMITHKLINE BEECHAM PLC (GB) 1999-10-27 CN disclosed
EP-0922048-A1 PROCESS FOR THE PREPARATION OF N- (1-?n BUTYL-4-PIPERIDYL)METHYL] -3,4-DIHYDRO -2H- 1,3] OXAZINO 3,2-a] INDOLE-10-CARBOXAMIDE AND SALTS AND INTERMEDIATES IN THE PROCESS SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
WO-1998007728-A1 PROCESS FOR THE PREPARATION OF N-[(1-nBUTYL-4-PIPERIDYL)METHYL] -3,4-DIHYDRO -2H-[1,3] OXAZINO[3,2-a] INDOLE-10-CARBOXAMIDE AND SALTS AND INTERMEDIATES IN THE PROCESS SMITHKLINE BEECHAM PLC (GB) 1998-02-26 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 (5 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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C NR4A2 808/4885ALOX5 357/4885ALDH1A1 3581/4885
US-20030083506-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE PRKD3, COMT, IDO1 NR4A2 3632/4885ALOX5 1629/4885ALDH1A1 1418/4885
US-20040192911-A1 Process for the preparation of an indole derivative PRKD3, COMT, IDO1 NR4A2 3632/4885ALOX5 1629/4885ALDH1A1 1418/4885
US-20030114684-A1 Preparation of methyl 2-(3-chloropropoxy)indole-3-carboxylate by reacting 3-chloro-3-carboxylate indole compound with 3-chloropropanol in presence of acid having pKa of 0-2 HTR3C, HTR3A, PRKD3 NR4A2 2945/4885ALOX5 1455/4885ALDH1A1 1653/4885
US-20020091271-A1 Process for the preparation of an indole derivative PRKD3, COMT, IDO1 NR4A2 3632/4885ALOX5 1629/4885ALDH1A1 1418/4885

“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.