SCHEMBL23772187

SCHEMBL23772187

O=C(O)c1ccc2nc3cc(C(O)O)ccc3nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.59
▸ RAB9A P51151 6/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ GAA P10253 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ HTT P42858 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ CDH1 P12830 1/20 0.50
▸ APC P25054 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ TCF7L2 Q9NQB0 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ NSD2 O96028 1/20 0.48

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
SCHEMBL5696651 0.85 TDP1 (0.77) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21723107 0.85 TDP1 (0.77) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31017306 0.80 RAB9A (0.73) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4939164 0.80 RAB9A (0.73) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2368284 0.78 TDP1 (0.67) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7907125 0.78 RARB (0.54) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL30092609 0.78 TDP1 (0.67) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2251523 0.77 TDP1 (0.71) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2251936 0.77 TDP1 (0.71) TDP1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29337541 0.77 TDP1 (0.65) TDP1RAB9ASMN1; SMN2MEN1KMT2A

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-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 — — US disclosed
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 — — 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 (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-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 TDP1 1170/4885RAB9A 2185/4885SMN1; SMN2 4506/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 TDP1 1170/4885RAB9A 2185/4885SMN1; SMN2 4506/4885

“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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