SCHEMBL500785

SCHEMBL500785

COCOCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TAAR1 Q96RJ0 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP10 Q53GL7 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL10992523 0.85 IDO1 (0.59) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL1146014 0.83 IDO1 (0.61) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL3865796 0.83 IDO1 (0.67) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL18343943 0.82 IDO1 (0.52) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL500370 0.82 TAAR1 (0.48) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL12383437 0.82 IDO1 (0.38) IDO1ALDH1A1TSHRMAPTRAB9A
SCHEMBL9419149 0.81 IDO1 (0.59) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL18171748 0.79 IDO1 (0.61) IDO1TAAR1ALDH1A1TSHRMAPT
SCHEMBL18892795 0.78 TAAR1 (0.42) TAAR1ALDH1A1TSHRMAPTKMT2A
SCHEMBL2400375 0.78 IDO1 (0.55) IDO1TAAR1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
EP-3424932-B1 BORONOPHTHALIDES FOR THERAPEUTIC USE ANACOR PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-20210070780-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190330245-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2019-10-31 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-05-30 US disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 US disclosed
CN-1829521-A Hydrolysis resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS INC (US) 2006-09-06 CN disclosed
WO-2006089067-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-24 WO disclosed
EP-1638578-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2006-03-29 EP disclosed
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 US disclosed
WO-2005013892-A9 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2005-04-14 WO disclosed
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, LLC 2005-03-10 US disclosed
WO-2005013892-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2005-02-17 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 (13 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 IDO1 352/4885TAAR1 3432/4885ALDH1A1 3692/4885
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 IDO1 864/4885TAAR1 364/4885ALDH1A1 2563/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 IDO1 352/4885TAAR1 3432/4885ALDH1A1 3692/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 IDO1 352/4885TAAR1 3432/4885ALDH1A1 3692/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 IDO1 352/4885TAAR1 3432/4885ALDH1A1 3692/4885
US-20050054644-A1 Hydrolytically-resistant boron-containing therapeutics and methods of use BTD, GAA, GBA3 IDO1 2697/4885TAAR1 4336/4885ALDH1A1 1632/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA IDO1 1994/4885TAAR1 3568/4885ALDH1A1 3616/4885

“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.