SCHEMBL5421995

SCHEMBL5421995

Nc1ccc(-n2c(C(=O)O)cc3ccccc32)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.79
▸ TSHR P16473 1/20 0.79
▸ PLA2G10 O15496 7/20 0.56
▸ DAO P14920 1/20 0.54
▸ MCL1 Q07820 1/20 0.53
▸ CCR2 P41597 5/20 0.48
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ F10 P00742 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.41
▸ LDHA P00338 1/20 0.41

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
SCHEMBL5208338 0.89 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL30194196 0.89 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL3957422 0.84 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL9260948 0.84 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL9149430 0.84 ALDH1A1 (0.79) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL3578110 0.84 ALDH1A1 (0.72) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL5434782 0.83 ALDH1A1 (0.77) ALDH1A1TSHRPLA2G10DAOMCL1
Dimethylamine SCHEMBL4930574 0.83 ALDH1A1 (0.87) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL5247396 0.83 ALDH1A1 (0.76) ALDH1A1TSHRPLA2G10DAOMCL1
SCHEMBL28414221 0.81 ALDH1A1 (0.73) ALDH1A1TSHRPLA2G10DAOMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299125-A1 Substituted indoles WYETH (US) 2007-12-27 — — US disclosed
US-7268159-B2 Substituted indoles WYETH (US) 2007-09-11 — — US disclosed
CN-1882537-A Substituted indolecarboxylic acid derivatives and their use as PAI-1 inhibitors WYETH CORP (US) 2006-12-20 — — CN disclosed
EP-1670758-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE AS PAI-1 INHIBITORS Wyeth (US) 2006-06-21 — — EP disclosed
US-20050113438-A1 Substituted indoles WYETH (US) 2005-05-26 — — US disclosed
WO-2005030717-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 — — WO 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-20070299125-A1 Substituted indoles IDO2, IDO1, INMT ALDH1A1 414/4885TSHR 1990/4885PLA2G10 4131/4885
US-20050113438-A1 Substituted indoles IDO2, IDO1, INMT ALDH1A1 414/4885TSHR 1990/4885PLA2G10 4131/4885

“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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