SCHEMBL2549643

SCHEMBL2549643

O=c1c(-c2ccc(Br)cc2)coc2cc(O)ccc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.83
MAOA P21397 6/20 0.83
MAOB P27338 6/20 0.83
ALDH2 P05091 6/20 0.83
ALDH1A1 P00352 5/20 0.83
NPC1 O15118 5/20 0.83
RAB9A P51151 5/20 0.83
HSD17B10 Q99714 5/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
HPGD P15428 4/20 0.83
MAPT P10636 4/20 0.83
TP53 P04637 3/20 0.83
CYP3A4 P08684 2/20 0.83
CYP2D6 P10635 2/20 0.83
CYP2C9 P11712 2/20 0.83
CYP2C19 P33261 2/20 0.83
HDAC6 Q9UBN7 2/20 0.83
CA12 O43570 1/20 0.83
AKR1B10 O60218 1/20 0.83
LMNA P02545 1/20 0.83

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
SCHEMBL30432969 1.00 KDM4E (0.83) KDM4EMAOAMAOBALDH2ALDH1A1
Daidzein SCHEMBL29374778 0.91 KDM4E (1.00) KDM4EMAOAMAOBALDH2ALDH1A1
Daidzein SCHEMBL19814 0.91 KDM4E (1.00) KDM4EMAOAMAOBALDH2ALDH1A1
Daidzein SCHEMBL21114371 0.91 KDM4E (1.00) KDM4EMAOAMAOBALDH2ALDH1A1
SCHEMBL8483048 0.88 KDM4E (0.62) KDM4EMAOAMAOBALDH2ALDH1A1
SCHEMBL12289059 0.85 KDM4E (0.83) KDM4EMAOAMAOBALDH2ALDH1A1
SCHEMBL4683689 0.85 KDM4E (1.00) KDM4EMAOAMAOBALDH2ALDH1A1
SCHEMBL4684766 0.85 KDM4E (0.83) KDM4EMAOAMAOBALDH2ALDH1A1
SCHEMBL2349506 0.85 KDM4E (0.83) KDM4EMAOAMAOBALDH2ALDH1A1
7-Hydroxy Isoflavone SCHEMBL762528 0.85 KDM4E (1.00) KDM4EMAOAMAOBALDH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250042880-A1 DIAMINOBUTOXY-SUBSTITUTED ISOFLAVONOIDS AS MITOCHONDRIAL COMPLEX I INHIBITORS FOR CANCER TREATMENT UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2025-02-06 US disclosed
WO-2023107507-A1 DIAMINOBUTOXY-SUBSTITUTED ISOFLAVONOIDS AS MITOCHONDRIAL COMPLEX I INHIBITORS FOR CANCER TREATMENT UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-06-15 WO disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
US-9408826-B2 Isoflavone anti-viral compounds Kineta, Inc. (US) 2016-08-09 US disclosed
EP-2560652-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2013-02-27 EP disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
US-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 US disclosed
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
WO-2011133728-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 US disclosed
EP-1542675-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH The Endowment For Research In Human Biology, Inc. (US) 2005-06-22 EP disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 EP disclosed
US-20040068003-A1 Compounds useful for the inhibition of ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC, 2004-04-08 US disclosed
WO-2004002470-A1 COMPOUNDS USEFUL FOR THE INHIBITION OF ALDH THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2004-01-08 WO disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 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 (4 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-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 KDM4E 2601/4885MAOA 4634/4885MAOB 4606/4885
US-20250042880-A1 DIAMINOBUTOXY-SUBSTITUTED ISOFLAVONOIDS AS MITOCHONDRIAL COMPLEX I INHIBITORS FOR CANCER TREATMENT DLD, ECI1, NDUFAF1 KDM4E 2863/4885MAOA 930/4885MAOB 362/4885
US-20040068003-A1 Compounds useful for the inhibition of ALDH ALDH2, ALDH1A1, ALDH3A1 KDM4E 1630/4885MAOA 484/4885MAOB 399/4885
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 1999/4885MAOA 4239/4885MAOB 4085/4885

“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.