SCHEMBL25001923

SCHEMBL25001923

CCOC(=O)NC(=S)Nc1ccccc1CC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ HPGD P15428 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
Thiophanate SCHEMBL29398343 0.91 ALDH1A1 (0.70) ALDH1A1MAPTHPGDLMNAALOX15
Thiophanate SCHEMBL20842 0.91 ALDH1A1 (0.70) ALDH1A1MAPTHPGDLMNAALOX15
Thiophanate SCHEMBL7449541 0.89 ALDH1A1 (0.68) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL12336304 0.87 ALDH1A1 (0.64) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL11694452 0.87 ALDH1A1 (0.79) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL23727265 0.87 EPHX1 (0.65) ALDH1A1MAPTGAAHPGDLMNA
Thiophanate SCHEMBL10922494 0.87 ALDH1A1 (0.79) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL11793473 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL11834021 0.85 ALDH1A1 (0.71) ALDH1A1MAPTHPGDLMNAALOX15
SCHEMBL11835690 0.85 ALDH1A1 (0.62) ALDH1A1MAPTHPGDLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 — — US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 — — 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 (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-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 ALDH1A1 3828/4885MAPT 3089/4885GAA 4064/4885

“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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