SCHEMBL2461799

SCHEMBL2461799

NCc1c(O)ccc2[nH]cc(CC(=O)O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ MAPT P10636 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ GAA P10253 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ POLB P06746 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ DNMT1 P26358 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ CASP6 P55212 1/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TSHR P16473 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ PMP22 Q01453 3/20 0.49
▸ GLA P06280 2/20 0.49

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
SCHEMBL2045109 0.79 HSD17B10 (0.43) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL2403442 0.76 ALDH1A1 (0.68) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL7358453 0.75 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL29441750 0.75 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL29441752 0.75 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL10697364 0.73 HTR2C (0.44) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL1163239 0.73 ALDH1A1 (0.59) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL9755961 0.72 ALDH1A1 (0.58) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL27942653 0.71 GPR84 (0.65) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL4609508 0.70 ALDH1A1 (0.55) KDM4EALDH1A1MAPTKMT2AGAA

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.

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