SCHEMBL551104

SCHEMBL551104

N#Cc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
MAOB P27338 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PTGER1 P34995 1/20 0.48
FOLH1 Q04609 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
PPIA P62937 1/20 0.46
SLC6A9 P48067 1/20 0.46
XDH P47989 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 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
SCHEMBL1646681 0.88 MRGPRX4 (0.60) MRGPRX4MAOBALDH1A1PTGER1FOLH1
SCHEMBL1647357 0.88 FOLH1 (0.62) MRGPRX4MAOBALDH1A1PTGER1FOLH1
SCHEMBL6211954 0.87 HTT (0.50) HTTALDH1A1FOLH1TDP1POLB
SCHEMBL19511235 0.86 PTGDR2 (0.55) MRGPRX4MAOBHTTALDH1A1PTGER1
SCHEMBL6352002 0.83 ALDH1A1 (0.50) MAOBALDH1A1TDP1POLBKDM4E
SCHEMBL25560285 0.83 ALDH1A1 (0.50) MAOBALDH1A1TDP1POLBKDM4E
SCHEMBL1647482 0.82 CCR5 (0.60) MAOBTDP1XDH
SCHEMBL6211389 0.82 HTT (0.45) HTTALDH1A1FOLH1TDP1POLB
SCHEMBL1647817 0.82 SLC6A4 (0.54) MRGPRX4
SCHEMBL23809724 0.81 ALDH1A1 (0.62) HTTALDH1A1FOLH1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
EP-3239142-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-07-03 EP disclosed
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 US disclosed
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
EP-3239142-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
EP-2310015-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF Cropsolution, Inc. (US) 2011-04-20 EP disclosed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
WO-2010008521-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2010-01-21 WO disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658858-A Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 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 (2 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 MRGPRX4 1684/4885MAOB 2027/4885HTT 844/4885
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND VIP, TMPRSS15, MMP2 MRGPRX4 1100/4885MAOB 1369/4885HTT 1488/4885

“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.