SCHEMBL21779243

SCHEMBL21779243

CC(C)(C)Nc1ccc(I)cc1F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.43
MAP2K2 P36507 12/20 0.43
FLT1 P17948 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL12403858 0.79 HTT (0.46)
SCHEMBL12883442 0.78 RAPGEF4 (0.39) MAP2K1MAP2K2IDO1
SCHEMBL13119527 0.77 MAP2K1 (0.42) MAP2K1MAP2K2FLT1IDO1
SCHEMBL12883439 0.76 LMNA (0.42) MAP2K1
SCHEMBL239073 0.76 IDO1 (0.35) IDO1
SCHEMBL12883490 0.76 KMT2A (0.44) FLT1
SCHEMBL19194233 0.76 GAA (0.43) IDO1
SCHEMBL24463592 0.76 IDO1 (0.35) IDO1
SCHEMBL12403870 0.73 RAB9A (0.42)
SCHEMBL12367895 0.72 MAP2K1 (0.46) MAP2K1MAP2K2FLT1IDO1

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-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases TAIPEI MEDICAL UNIVERSITY (TW) 2020-03-03 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 (3 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-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases PSMB1, UBQLN1, PSMB5 MAP2K1 4289/4885MAP2K2 4007/4885FLT1 4673/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 MAP2K1 4594/4885MAP2K2 4487/4885FLT1 3726/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 MAP2K1 4636/4885MAP2K2 4481/4885FLT1 4452/4885

“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.