SCHEMBL2204200

SCHEMBL2204200

CCOC(=O)c1[nH]c2cc(Br)ccc2c1CCCO

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
GPR17 Q13304 1/20 0.52
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALOX15 P16050 5/20 0.46
MCL1 Q07820 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NQO2 P16083 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
SCHEMBL2204926 0.90 NPSR1 (0.54) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL15622113 0.88 HTR6 (0.55) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2207627 0.87 NPSR1 (0.53) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2202482 0.87 GPR17 (0.57) HTR6GPR17HTR1ADRD2DRD4
SCHEMBL15622440 0.85 ALOX15 (0.65) ALOX15
SCHEMBL15622226 0.82 HTR6 (0.50) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL2204865 0.82 HTR6 (0.76) HTR6HTR1ADRD2DRD4HTR1D
SCHEMBL7836686 0.82 HTR6 (0.46) HTR6GPR17HTR1ADRD2DRD4
SCHEMBL24074581 0.82 ALDH1A1 (0.58) GPR17MAPTALDH1A1NPSR1ALOX15
SCHEMBL15623012 0.82 MCL1 (0.70) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-11-01 US disclosed
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-10-09 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 WO disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
EP-2134685-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2008130970-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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 (6 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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR6 1484/4885GPR17 3726/4885HTR1A 1791/4885
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR6 1054/4885GPR17 2898/4885HTR1A 1279/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR6 1054/4885GPR17 2898/4885HTR1A 1279/4885
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors MCL1, BCL2L1, BCLAF1 HTR6 1054/4885GPR17 2898/4885HTR1A 1279/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR6 1484/4885GPR17 3726/4885HTR1A 1791/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 HTR6 1054/4885GPR17 2898/4885HTR1A 1279/4885

“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.