SCHEMBL23657583

SCHEMBL23657583

COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.75
▸ TP53 P04637 8/20 0.75
▸ SMN1; SMN2 Q16637 11/20 0.73
▸ ALDH1A1 P00352 9/20 0.73
▸ LMNA P02545 8/20 0.73
▸ RAB9A P51151 9/20 0.72
▸ NPC1 O15118 8/20 0.72
▸ MEN1 O00255 5/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ HTT P42858 1/20 0.72
▸ THRB P10828 1/20 0.71
▸ GFER P55789 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ GAA P10253 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ CLK1 P49759 1/20 0.64
▸ TSHR P16473 3/20 0.61

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
SCHEMBL14807083 0.86 RAB9A (0.75) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL14654072 0.83 RAB9A (0.71) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL14631274 0.83 MAPT (0.71) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL3109465 0.83 NPC1 (0.77) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL16562034 0.81 ALDH1A1 (0.79) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL17916670 0.79 NPC1 (0.65) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL17916714 0.79 ALDH1A1 (0.75) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL3167505 0.78 MAPT (0.53) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL14631511 0.77 RAB9A (0.62) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL3384688 0.75 MAPT (0.70) MAPTTP53SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 — — 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA MAPT 4875/4885TP53 1313/4885SMN1; SMN2 3198/4885

“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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