SCHEMBL4846663

SCHEMBL4846663

O=C1CCCc2c(Br)ccc([N+](=O)[O-])c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
S100A4 P26447 3/20 0.39
MAPT P10636 4/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
PTPRC P08575 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HPD P32754 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL29375067 1.00 KDM4E (0.41) KDM4ES100A4MAPTRECQLKMT2A
SCHEMBL7653325 0.82 BRD4 (0.39) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL24328520 0.81 ALDH1A1 (0.39) KDM4EMAPTKMT2ACYP3A4HPGD
SCHEMBL30773544 0.81 ALDH1A1 (0.39) KDM4EMAPTKMT2ACYP3A4HPGD
SCHEMBL22463118 0.81 TDP1 (0.40) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL7659144 0.81 MAPT (0.46) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL31177224 0.81 TP53 (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL9404841 0.81 TP53 (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL30841549 0.81 HIF1A (0.41) S100A4MAPTRECQLKMT2AMCL1
SCHEMBL7656644 0.81 HIF1A (0.41) S100A4MAPTRECQLKMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263948-B Compounds and conjugates thereof 免疫医疗有限公司 2024-11-22 CN disclosed
US-20240239894-A1 THERAPEUTIC BINDING MOLECULES MEDIMMUNE LIMITED (GB) 2024-07-18 US disclosed
US-20240239894-A1 THERAPEUTIC BINDING MOLECULES MEDIMMUNE LIMITED (GB) 2024-07-18 US disclosed
CN-118240003-A Compounds and conjugates thereof 免疫医疗有限公司 2024-06-25 CN disclosed
CN-118221763-A Compounds and conjugates thereof 免疫医疗有限公司 2024-06-21 CN disclosed
CN-113631196-B Compounds and conjugates thereof 免疫医疗有限公司 2024-03-15 CN disclosed
CN-117263948-A Compounds and conjugates thereof 免疫医疗有限公司 2023-12-22 CN disclosed
US-11795225-B2 Therapeutic binding molecules MEDIMMUNE LIMITED (GB) 2023-10-24 US disclosed
US-11795225-B2 Therapeutic binding molecules MEDIMMUNE LIMITED (GB) 2023-10-24 US disclosed
CN-116829592-A Therapeutic B7-H4 binding molecules 免疫医疗有限公司 2023-09-29 CN disclosed
WO-2022053650-A1 THERAPEUTIC B7-H4 BINDING MOLECULES MEDIMMUNE LIMITED (GB) 2022-03-17 WO disclosed
EP-3946464-A1 COMPOUNDS AND CONJUGATES THEREOF MedImmune Limited (GB) 2022-02-09 EP disclosed
CN-113631196-A Compounds and conjugates thereof 免疫医疗有限公司 2021-11-09 CN disclosed
US-20210322401-A1 COMPOUNDS AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2021-10-21 US disclosed
WO-2020200880-A1 COMPOUNDS AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2020-10-08 WO disclosed
US-20200306243-A1 COMPOUNDS AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2020-10-01 US disclosed
US-7435733-B2 Mineralocorticoid receptor modulator compounds and methods, and pharmaceutical compositions containing these compounds LIGAND PHARMACEUTICALS, INC. (US) 2008-10-14 US disclosed
US-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. 2007-08-09 US disclosed
WO-2006023158-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2006-03-02 WO disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 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 (5 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-20070185102-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS NR3C2, MC2R, NR3C1 KDM4E 3549/4885S100A4 1673/4885MAPT 2468/4885
US-11795225-B2 Therapeutic binding molecules EPCAM, IGSF11, FCGR3B KDM4E 2990/4885S100A4 1312/4885MAPT 1237/4885
US-20200306243-A1 COMPOUNDS AND CONJUGATES THEREOF TOP2A, TOP1, TOP2B KDM4E 1693/4885S100A4 4339/4885MAPT 1295/4885
US-20240239894-A1 THERAPEUTIC BINDING MOLECULES EPCAM, IGSF11, FCGR3B KDM4E 2990/4885S100A4 1312/4885MAPT 1237/4885
US-20210322401-A1 COMPOUNDS AND CONJUGATES THEREOF TOP2A, TOP1, TOP2B KDM4E 1693/4885S100A4 4339/4885MAPT 1295/4885

“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.