SCHEMBL20527162

SCHEMBL20527162

COc1cc(C(=O)N2CCCC[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30887615 1.00 KDM4E (0.38) KDM4EPOLBLMNAGAANPC1
SCHEMBL20527164 1.00 KDM4E (0.38) KDM4EPOLBLMNAGAANPC1
SCHEMBL21840253 0.98 KDM4E (0.39) KDM4EPOLBLMNAGAANPC1
SCHEMBL29687429 0.98 KDM4E (0.39) KDM4EPOLBLMNAGAANPC1
SCHEMBL21840252 0.98 KDM4E (0.39) KDM4EPOLBLMNAGAANPC1
SCHEMBL22443262 0.94 KDM4E (0.40) KDM4EPOLBLMNAGAANPC1
SCHEMBL22443263 0.94 KDM4E (0.40) KDM4EPOLBLMNAGAANPC1
SCHEMBL4412576 0.90 KDM4E (0.44) KDM4EPOLBLMNAGAAHCRTR1
SCHEMBL14071791 0.90 KDM4E (0.44) KDM4EPOLBLMNAGAAHCRTR1
SCHEMBL29424505 0.89 KDM4E (0.37) KDM4EPOLBLMNAGAANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
US-20210206763-A1 Anti-Proliferative Agents PHEON THERAPEUTICS LTD (GB) 2021-07-08 US disclosed
US-10975072-B2 Substituted 6a,7,8,9,10,12-hexahydrobenzo[e]pyrido[1,2-a][1,4]diazepines as anti-proliferative agents FEMTOGENIX LIMITED 2021-04-13 US disclosed
US-10975074-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines FEMTOGENIX LIMITED 2021-04-13 US disclosed
US-20190308970-A1 ANTI-LIFERATIVE AGENTS COMPRISING SUBSTITUTED PYRROLO-, INDOLINO- OR TETRAHYDROISOQUINOLINE-BENZODIAZEPINES PHEON THERAPEUTICS LTD (GB) 2019-10-10 US disclosed
US-20180339985-A1 PDD COMPOUNDS FEMTOGENIX LIMITED (GB) 2018-11-29 US disclosed
US-20180291021-A1 PDD COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2018-10-11 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 (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-20210206763-A1 Anti-Proliferative Agents CCND2, BRD2, DRD2 KDM4E 1175/4885POLB 127/4885LMNA 2614/4885
US-10975074-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines CNR1, GABRA1, BAK1 KDM4E 868/4885POLB 307/4885LMNA 871/4885
US-10975072-B2 Substituted 6a,7,8,9,10,12-hexahydrobenzo[e]pyrido[1,2-a][1,4]diazepines as anti-proliferative agents PDCD1, CCND1, PDCD6 KDM4E 1020/4885POLB 876/4885LMNA 3701/4885
US-20190308970-A1 ANTI-LIFERATIVE AGENTS COMPRISING SUBSTITUTED PYRROLO-, INDOLINO- OR TETRAHYDROISOQUINOLINE-BENZODIAZEPINES GABRA1, GABBR1, GABRA2 KDM4E 1164/4885POLB 382/4885LMNA 1734/4885
US-20180291021-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 KDM4E 2551/4885POLB 1536/4885LMNA 2940/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 KDM4E 684/4885POLB 231/4885LMNA 1477/4885
US-20180339985-A1 PDD COMPOUNDS DRD1, DRD3, DRD2 KDM4E 2367/4885POLB 1301/4885LMNA 2853/4885

“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.