SCHEMBL18407282

SCHEMBL18407282

Cn1cc(C[C@@H](N)C(=O)NCC(=O)O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GPR84 Q9NQS5 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ IDE P14735 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ ARG1 P05089 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44

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
Hydrochloric Acid SCHEMBL18395509 0.99 ALDH1A1 (0.50) ALDH1A1MAPTRECQLKDM4EMEN1
SCHEMBL18407260 0.88 KDM4E (0.49) ALDH1A1MAPTRECQLKDM4EMEN1
Hydrochloric Acid SCHEMBL18395771 0.87 KDM4E (0.48) ALDH1A1MAPTRECQLKDM4EMEN1
SCHEMBL4929067 0.85 ALDH1A1 (0.52) ALDH1A1MAPTRECQLKDM4EMEN1
SCHEMBL4929082 0.85 ALDH1A1 (0.52) ALDH1A1MAPTRECQLKDM4EMEN1
SCHEMBL5283128 0.83 ALDH1A1 (0.46) ALDH1A1MAPTRECQLKDM4EMEN1
SCHEMBL6037979 0.83 ALDH1A1 (0.46) ALDH1A1MAPTRECQLKDM4EMEN1
1-Methyltryptophan SCHEMBL19992 0.83 MAPT (0.71) ALDH1A1MAPTRECQLKDM4EMEN1
Indoximod SCHEMBL29349777 0.83 MAPT (0.71) ALDH1A1MAPTRECQLKDM4EMEN1
1-Methyltryptophan SCHEMBL14202956 0.83 MAPT (0.71) ALDH1A1MAPTRECQLKDM4EMEN1

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-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2018-05-17 — — US disclosed
US-9732035-B2 Salts and prodrugs of 1-methyl-D-tryptophan NEWLINK GENETICS CORPORATION (US) 2017-08-15 — — US disclosed
US-20170022157-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2017-01-26 — — 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-20170022157-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT ALDH1A1 634/4885MAPT 2135/4885RECQL 2301/4885
US-20180134658-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT ALDH1A1 634/4885MAPT 2135/4885RECQL 2301/4885

“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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