SCHEMBL789581

SCHEMBL789581

Cc1coc2ccc(Br)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 2/20 0.51
PTPN1 P18031 1/20 0.50
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PIM1 P11309 1/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL31405756 1.00 ALDH1A1 (0.51) ALDH1A1HTTPTPN1MAPTKMT2A
SCHEMBL17734362 0.85 PTPN1 (0.61) ALDH1A1HTTPTPN1MAPTKMT2A
SCHEMBL1530853 0.83 ALDH1A1 (0.42) ALDH1A1HTTPTPN1MAPTSMN1; SMN2
SCHEMBL4454971 0.78 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL30695267 0.78 PTPN1 (0.53) ALDH1A1HTTPTPN1MAPTKMT2A
SCHEMBL28006934 0.78 PTPN1 (0.53) ALDH1A1HTTPTPN1MAPTKMT2A
SCHEMBL17344322 0.76 ALDH1A1 (0.62) ALDH1A1HTTPTPN1MAPTKMT2A
SCHEMBL718267 0.75 PTPN1 (0.50) ALDH1A1HTTPTPN1MAPTKMT2A
SCHEMBL18936105 0.75 ALDH1A1 (0.42) ALDH1A1HTTKDM4EPOLBTHRB
SCHEMBL2091508 0.75 PTPN1 (0.50) ALDH1A1HTTPTPN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
EP-3538518-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB Merck Patent GmbH (DE) 2019-09-18 EP disclosed
US-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB MERCK PATENT GMBH (DE) 2019-08-22 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
WO-2018087021-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB MERCK PATENT GMBH (DE) 2018-05-17 WO disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (7 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB ALDH1A1 894/4885HTT 2831/4885PTPN1 3511/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885HTT 4644/4885PTPN1 1427/4885
US-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB PFKFB1, PFKFB2, PFKFB4 ALDH1A1 2858/4885HTT 3371/4885PTPN1 2253/4885
US-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 ALDH1A1 204/4885HTT 4268/4885PTPN1 1339/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885HTT 4689/4885PTPN1 1076/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 ALDH1A1 1674/4885HTT 1519/4885PTPN1 1164/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 ALDH1A1 1674/4885HTT 1519/4885PTPN1 1164/4885

“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.