SCHEMBL596000

SCHEMBL596000

COCOCc1ccc(Oc2ccc(C#N)cc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
PGR P06401 4/20 0.39
AR P10275 2/20 0.38
SLC6A4 P31645 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP19A1 P11511 2/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL594828 0.90 PGR (0.39) NAAACACNA1GCACNA1BPGRAR
SCHEMBL596202 0.89 NAAA (0.43) NAAAPGRARHTR2AKCNH2
SCHEMBL30879482 0.86 LTA4H (0.42) NAAASLC6A4HTR2APARP10KDM4E
SCHEMBL597187 0.83 NAAA (0.49) NAAAPGRKDM4EMEN1KMT2A
SCHEMBL595741 0.82 SLC6A4 (0.38) NAAASLC6A4HTR2AKCNH2MAOA
SCHEMBL10268833 0.80 CACNA1G (0.39) CACNA1GCACNA1BPGRARSLC6A4
SCHEMBL13248759 0.79 CACNA1G (0.41) NAAACACNA1GCACNA1BPGRAR
SCHEMBL21241616 0.78 CACNA1G (0.41) NAAACACNA1GCACNA1BPGRAR
SCHEMBL13248761 0.78 CACNA1G (0.38) CACNA1GCACNA1BPGRARSLC6A4
SCHEMBL596525 0.77 PARP15 (0.44) NAAACACNA1GCACNA1BPGRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-04-20 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-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD., (IN) 2020-02-27 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
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
EP-1853251-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO 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
WO-2006089067-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-24 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 NAAA 3907/4885CACNA1G 4625/4885CACNA1B 4469/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 NAAA 1191/4885CACNA1G 4241/4885CACNA1B 4267/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 NAAA 3907/4885CACNA1G 4625/4885CACNA1B 4469/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885CACNA1G 4369/4885CACNA1B 3549/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885CACNA1G 4369/4885CACNA1B 3549/4885
US-20200062785-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL) OXY] BENZONITRILE (CRISABOROLE) CYP4B1, CYP8B1, CYP4X1 NAAA 2549/4885CACNA1G 2372/4885CACNA1B 1455/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885CACNA1G 4369/4885CACNA1B 3549/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF NAAA 3530/4885CACNA1G 4404/4885CACNA1B 3864/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 NAAA 3907/4885CACNA1G 4625/4885CACNA1B 4469/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 NAAA 3907/4885CACNA1G 4625/4885CACNA1B 4469/4885
US-10981939-B2 Process for the preparation of 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl) oxy] benzonitrile (Crisaborole) CYP4B1, CYP8B1, SQLE NAAA 2737/4885CACNA1G 2145/4885CACNA1B 1447/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885CACNA1G 4369/4885CACNA1B 3549/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA NAAA 3640/4885CACNA1G 4369/4885CACNA1B 3549/4885

“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.