SCHEMBL23744

SCHEMBL23744

COc1ccc(OBOc2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ACHE P22303 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NQO1 P15559 1/20 0.38
CYP3A4 P08684 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 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
SCHEMBL23052 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL958654 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL23115 0.83 CA2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL82486 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL25620294 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4010865 0.79 TDP1 (0.36) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL3659032 0.79 ESR1 (0.43) ALDH1A1MAPTKDM4ENQO1SMN1; SMN2
SCHEMBL177356 0.78 TDP1 (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL29804592 0.78 TDP1 (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL17181780 0.78 ALDH1A1 (0.68) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
EP-2963043-B1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2018-05-30 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
US-9458176-B2 Tetrahydroimidazo(1,5-D)[1,4]oxazepine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-04 US disclosed
EP-2963043-A1 TETRAHYDROIMIDAZO[1,5-D][1,4]OXAZEPINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20140243316-A1 Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-28 US disclosed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
EP-2118101-B1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-26 EP disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US disclosed
WO-2008110523-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-18 WO disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 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 (6 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 CA12 3040/4885CA1 3853/4885CA2 3099/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 CA12 3232/4885CA1 3728/4885CA2 3954/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885
US-20140243316-A1 Tetrahydroimidazo(1,5-D)[1,4]Oxazepine Derivative GRM2, GRM1, GRIA2 CA12 2594/4885CA1 659/4885CA2 465/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP CA12 4883/4885CA1 4852/4885CA2 4775/4885
US-20080234313-A1 NOVEL INHIBITORS SF3A1, HBS1L, SF3A3 CA12 2754/4885CA1 612/4885CA2 200/4885

“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.