SCHEMBL5579503

SCHEMBL5579503

O=c1c(O)c(O)oc2cccc(O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.62
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALOX15 P16050 3/20 0.62
MAPK1 P28482 3/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
MAOA P21397 5/20 0.59
EGFR P00533 1/20 0.58
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
APP P05067 1/20 0.45
AR P10275 4/20 0.45

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
SCHEMBL28683594 0.83 MAOA (0.74) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL30346466 0.83 MAOA (0.74) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL796920 0.81 MAPT (0.58) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL10324199 0.78 MGAM (0.56) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL1607111 0.77 MEN1 (0.62) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL31344371 0.77 MEN1 (0.62) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL17237774 0.77 MEN1 (0.54) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL29432477 0.77 MEN1 (1.00) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL290081 0.77 MEN1 (1.00) CYP3A4MAPTMEN1KMT2AALOX15
SCHEMBL1135434 0.75 MEN1 (0.65) CYP3A4MAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12053465-B2 KCC2 expression enhancing compounds and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2024-08-06 US disclosed
US-11925622-B2 Role of novel carbazole linked 1, 2, 3- triazole analogs in alleviating methylglyoxal-mediated late diabetic vascular complications JAHAN HUMERA (PK) 2024-03-12 US disclosed
US-20230079389-A1 COMPOSITION FOR USE IN PREVENTION OR TREATMENT OF OESOPHAGEAL DISEASES LINKED TO EPITHELIAL BARRIER DEFECTS THELIAL B.V. (NL) 2023-03-16 US disclosed
US-20220378782-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-12-01 US disclosed
US-11331313-B2 KCC2 expression enhancing compounds and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-05-17 US disclosed
US-20200085817-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-03-19 US disclosed
WO-2018217766-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-11-29 WO disclosed
CN-107216303-A Fluorine can draw fixed synthetic method 北京盛诺基医药科技有限公司 2017-09-29 CN disclosed
CN-107158386-A Prevent and treat the medicine of alopecia 段新方 2017-09-15 CN disclosed
US-20160143878-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-05-26 US disclosed
US-20150322033-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2015-11-12 US disclosed
US-20120183587-A1 FLAVONOL COMPOSITIONS LINES, THOMAS CHRISTIAN (CH) 2012-07-19 US disclosed
CN-102533892-A Method for preparing high-activity benzopyran-4-one with flavones of sea buckthorn leaves through biotransformation QINGHAI GENERAL HEALTH BIO SCIENCE CO LTD 2012-07-04 CN disclosed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 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-20160143878-A1 ANTIBACTERIAL AGENT MRPL21, Q6ZSR9, NQO2 CYP3A4 647/4885MAPT 4732/4885MEN1 4060/4885
US-11331313-B2 KCC2 expression enhancing compounds and uses thereof MECP2, SLC1A2, GRIN2C CYP3A4 4721/4885MAPT 1725/4885MEN1 2772/4885
US-20200085817-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF MECP2, SLC1A2, GRIN2C CYP3A4 4721/4885MAPT 1725/4885MEN1 2772/4885
US-20120183587-A1 FLAVONOL COMPOSITIONS CYP2F1, F3, TEAD3 CYP3A4 403/4885MAPT 1698/4885MEN1 2383/4885
US-20150322033-A1 ANTIBACTERIAL AGENT Q6ZSR9, MRPL21, NQO2 CYP3A4 734/4885MAPT 4733/4885MEN1 4104/4885
US-20220378782-A1 KCC2 EXPRESSION ENHANCING COMPOUNDS AND USES THEREOF MECP2, SLC1A2, GRIN2C CYP3A4 4721/4885MAPT 1725/4885MEN1 2772/4885
US-12053465-B2 KCC2 expression enhancing compounds and uses thereof MECP2, SLC1A2, GRIN2C CYP3A4 4721/4885MAPT 1725/4885MEN1 2772/4885

“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.