SCHEMBL21779262

SCHEMBL21779262

O=C1C(Cl)=C(Nc2cccc(SNc3ccccn3)c2)C(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 4/20 0.55
▸ PSMB1 P20618 2/20 0.55
▸ PSMB5 P28074 2/20 0.55
▸ PSMB2 P49721 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TCF4 P15884 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ RAB9A P51151 10/20 0.50
▸ MAPT P10636 10/20 0.50
▸ HTT P42858 9/20 0.50
▸ KMT2A Q03164 9/20 0.50
▸ NPSR1 Q6W5P4 8/20 0.50

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
SCHEMBL13411338 0.79 ALDH1A1 (0.67) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL18398729 0.77 ALDH1A1 (0.77) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL18398738 0.77 ALDH1A1 (0.55) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL18398699 0.76 RAB9A (0.63) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL2243581 0.71 ALDH1A1 (1.00) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL15031163 0.71 ALDH1A1 (0.64) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL29392404 0.71 ALDH1A1 (1.00) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL18398719 0.70 PSMB5 (0.63) ALDH1A1HPGDPSMB1PSMB5PSMB2
SCHEMBL6506683 0.69 MAPT (1.00) ALDH1A1HPGDRAB9AMAPTHTT
SCHEMBL29633261 0.69 MAPT (1.00) ALDH1A1HPGDRAB9AMAPTHTT

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-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 — — 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-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 ALDH1A1 3039/4885HPGD 2208/4885PSMB1 3/4885
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases PSMB1, UBQLN1, PSMB5 ALDH1A1 2346/4885HPGD 2018/4885PSMB1 1/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 ALDH1A1 2017/4885HPGD 1604/4885PSMB1 2/4885

“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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