SCHEMBL2207985

SCHEMBL2207985

BrCCCOc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.68
KCNA3 P22001 1/20 0.66
SLC6A4 P31645 2/20 0.62
HRH1 P35367 1/20 0.62
HTR1D P28221 3/20 0.59
NR2E1 Q9Y466 1/20 0.57
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL1681047 0.94 KCNA3 (0.69) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL8662664 0.93 KCNA3 (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL1772505 0.93 KCNA3 (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL2204553 0.90 HTR1B (0.67) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL9770352 0.88 KCNA3 (0.81) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL2177350 0.88 HTR1B (0.78) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902853 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902840 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902852 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL16902855 0.86 KCNA3 (0.79) HTR1BKCNA3SLC6A4HRH1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
CN-108745414-B Application of alcohol amine ionic liquid in catalysis of nucleophilic fluorination reaction in aqueous phase system 河南师范大学 2020-12-01 CN disclosed
EP-3038618-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-14 EP disclosed
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-09-13 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9551928-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern therewith FUJIFILM CORPORATION (JP) 2017-01-24 US disclosed
US-9551928-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern therewith FUJIFILM CORPORATION (JP) 2017-01-24 US disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008130970-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed
EP-0044940-B1 AMINO-DESOXY-1.4;3.6-DIANHYDRO-HEXITE NITRATES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1984-09-19 EP disclosed
US-4363805-A TREATMENT OF CORONARY DISEASE FIRMA WILLMAR SCHWABE (DE) 1982-12-14 US disclosed
EP-0044940-A1 Amino-desoxy-1.4;3.6-dianhydro-hexite nitrates, processes for their preparation and pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP disclosed
US-4260816-A HYPOGLYCEMIC, HYPOLIPIDEMIC AGENTS, TREATMENT OF DIABETES AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed
US-3997667-A HYPOTENSIVE BOEHRINGER MANNHEIM G.M.B.H. (DT) 1976-12-14 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 (4 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-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 HTR1B 1091/4885KCNA3 2797/4885SLC6A4 4024/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 HTR1B 1091/4885KCNA3 2797/4885SLC6A4 4024/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 HTR1B 1091/4885KCNA3 2797/4885SLC6A4 4024/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 HTR1B 2400/4885KCNA3 4270/4885SLC6A4 3978/4885

“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.