SCHEMBL5203591

SCHEMBL5203591

COC(=O)c1cc(CBr)nc(CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
LMNA P02545 2/20 0.47
XDH P47989 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.42

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
SCHEMBL17789604 0.93 KDM4E (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9069963 0.91 KDM4E (0.49) KDM4EALDH1A1CA12CA1CA2
SCHEMBL31347123 0.88 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2718011 0.88 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL25189286 0.86 PTPN11 (0.54) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL8909201 0.84 KDM4E (0.42) KDM4EALDH1A1CA12CA1CA2
SCHEMBL17987756 0.84 KDM4E (0.34) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9199044 0.82 CA12 (0.55) KDM4EALDH1A1CA12CA1CA2
SCHEMBL26228810 0.82 PTPN11 (0.49) KDM4EALDH1A1LMNATDP1POLB
SCHEMBL13350408 0.81 KDM4E (0.53) KDM4EALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104409-A1 MULTIMERIC MANGANESE CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2026-05-21 WO disclosed
EP-4741400-A1 MULTIMERIC MANGANESE CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2026-05-13 EP disclosed
EP-4626489-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF Novartis AG (CH) 2025-10-08 EP disclosed
WO-2024116053-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF NOVARTIS AG (CH) 2024-06-06 WO disclosed
US-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents MEDIMMUNE LIMITED (GB) 2022-12-13 US disclosed
US-11278627-B2 Antibody-drug conjugates and the use of same in therapy MC SAF (FR) 2022-03-22 US disclosed
EP-3825304-A1 ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY Mc SAF (FR) 2021-05-26 EP disclosed
US-20210079023-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS MEDIMMUNE LIMITED (GB) 2021-03-18 US disclosed
EP-3521314-B1 ANTIBODY-DRUG CONJUGATES AND USE THEREOF IN THERAPY MC SAF (FR) 2021-02-24 EP disclosed
WO-2019197602-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS MEDIMMUNE LIMITED (GB) 2019-10-17 WO disclosed
US-10307488-B2 Antibody-drug conjugates and the use of same in therapy UNIVERSITE FRANCOIS RABELAIS (FR) 2019-06-04 US disclosed
US-20160151515-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY MC SAF (FR) 2016-06-02 US disclosed
WO-2015004400-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY UNIVERSITE FRANCOIS RABELAIS (FR) 2015-01-15 WO disclosed
WO-2010070232-A1 NOVEL RARE EARTH ELEMENT CRYPTATES INCLUDING A TETRAAZATRIPHENYLENE UNIT CIS BIO INTERNATIONAL (FR) 2010-06-24 WO disclosed
EP-1290448-B1 RARE EARTH METAL CRYPTATES SHOWING REDUCED FLUORESCENCE QUENCHING CIS BIO INT (FR) 2007-11-07 EP disclosed
EP-1290448-B1 RARE EARTH METAL CRYPTATES SHOWING REDUCED FLUORESCENCE QUENCHING CIS BIO INT (FR) 2007-11-07 EP disclosed
US-7087384-B2 Rare earth metal cryptates which are not very sensitive to the fluorescence quenching CIS BIO INTERNATIONAL (FR) 2006-08-08 US disclosed
US-20040092726-A1 Novel rare earth metal cryptates which are not very sensitive to the fluorescence quenching CIS BIO INTERNATIONAL (FR) 2004-05-13 US disclosed
EP-1290448-A2 RARE EARTH METAL CRYPTATES SHOWING REDUCED FLUORESCENCE QUENCHING CIS BIO INTERNATIONAL (FR) 2003-03-12 EP disclosed
WO-2001096877-A2 RARE EARTH METAL CRYPTATES SHOWING REDUCED FLUORESCENCE QUENCHING CIS BIO INTERNATIONAL (FR) 2001-12-20 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-11524969-B2 Pyrrolobenzodiazepines and conjugates thereof as antitumour agents PBRM1, HDAC6, NPM1 KDM4E 1557/4885ALDH1A1 1297/4885CA12 861/4885
US-20210079023-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF AS ANTITUMOUR AGENTS PBRM1, HDAC6, NPM1 KDM4E 1557/4885ALDH1A1 1297/4885CA12 861/4885
US-10307488-B2 Antibody-drug conjugates and the use of same in therapy CD47, TNFRSF9, VSIG8 KDM4E 3028/4885ALDH1A1 1271/4885CA12 689/4885
US-20040092726-A1 Novel rare earth metal cryptates which are not very sensitive to the fluorescence quenching SQOR, MCU, NDUFS4 KDM4E 3781/4885ALDH1A1 2119/4885CA12 206/4885
US-20160151515-A1 NOVEL ANTIBODY-DRUG CONJUGATES AND THE USE OF SAME IN THERAPY CD47, TNFRSF9, VSIG8 KDM4E 3225/4885ALDH1A1 1572/4885CA12 921/4885
US-11278627-B2 Antibody-drug conjugates and the use of same in therapy CD47, TNFRSF9, VSIG8 KDM4E 3028/4885ALDH1A1 1271/4885CA12 689/4885

“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.