SCHEMBL2389653

SCHEMBL2389653

O=C(O)Cc1c(CBr)[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
EGFR P00533 4/20 0.60
SRC P12931 1/20 0.47
FOLH1 Q04609 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL28516422 0.87 KDM4E (0.66) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL2403602 0.85 KDM4E (0.64) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL2404387 0.84 KDM4E (0.62) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL3743077 0.84 KDM4E (0.67) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL2460856 0.84 KDM4E (0.62) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL2087168 0.83 HPGD (0.61) KDM4EALDH1A1MAPTGAACASP1
Hydrochloric Acid SCHEMBL28521562 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL2403500 0.81 KDM4E (0.59) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL17102815 0.81 KDM4E (0.59) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL5062953 0.80 KDM4E (0.66) KDM4EALDH1A1MAPTGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US claimed
US-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 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 (1 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-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES IDO1, TPH1, FOXM1 KDM4E 1072/4885ALDH1A1 104/4885MAPT 4599/4885

“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.