SCHEMBL597017

SCHEMBL597017

C1=C(Sc2ccccc2)c2ccccc2[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NSD2 O96028 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL595007 0.79 ALDH1A1 (0.39) KDM4EMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL596515 0.76 MAPT (0.40) KDM4EMAPTMAPK1ALDH1A1L3MBTL1
Diphenylsulfane SCHEMBL28352409 0.67 MAOA (0.50) KDM4EMAPTNSD2MAPK1ALDH1A1
Diphenylsulfane SCHEMBL452 0.64 HPGD (0.60) KDM4EMAPTNSD2MAPK1ALDH1A1
Diphenylsulfane SCHEMBL28332331 0.64 HPGD (0.60) KDM4EMAPTNSD2MAPK1ALDH1A1
Diphenylsulfane SCHEMBL7109540 0.64 HPGD (0.60) KDM4EMAPTNSD2MAPK1ALDH1A1
SCHEMBL2159745 0.63 IDO1 (0.33) MAPTALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL3096746 0.63 APAF1 (0.33) KDM4EMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL323144 0.63 CYP1A2 (0.33) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL30958577 0.61 MAPT (0.57) KDM4EMAPTNSD2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 US claimed
US-8722917-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-13 US claimed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 US claimed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP claimed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO claimed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US claimed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 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-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
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2017-09-14 US disclosed
WO-2008070257-A2 CRYSTAL STRUCTURE OF A TRNA SYNTHETASE ANACOR PHARMACEUTICALS, INC. (US) 2008-06-12 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885MAPT 1768/4885NSD2 4048/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 KDM4E 3530/4885MAPT 3542/4885NSD2 2814/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885MAPT 3802/4885NSD2 4626/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885MAPT 3802/4885NSD2 4626/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885MAPT 3802/4885NSD2 4626/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885MAPT 3802/4885NSD2 4626/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF KDM4E 4108/4885MAPT 3573/4885NSD2 4528/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 KDM4E 3418/4885MAPT 1768/4885NSD2 4048/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 KDM4E 3418/4885MAPT 1768/4885NSD2 4048/4885
US-20170258819-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, TNF KDM4E 4108/4885MAPT 3573/4885NSD2 4528/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885MAPT 3802/4885NSD2 4626/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA KDM4E 4323/4885MAPT 3802/4885NSD2 4626/4885

“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.