SCHEMBL3724125

SCHEMBL3724125

OCOc1cccc2nc3ccccc3nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.59
MAPT P10636 6/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.45
THRB P10828 2/20 0.45
BLM P54132 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
CASP6 P55212 1/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 1/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL9999559 0.81 NQO2 (0.59) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL8009034 0.80 CYP1A2 (0.59) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL23181356 0.79 NQO2 (0.56) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL8740325 0.79 NQO2 (0.61) NQO2MAPTRAB9AALDH1A1KMT2A
Alcohol SCHEMBL27785418 0.79 NQO2 (0.83) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL182949 0.79 NQO2 (0.66) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL2291623 0.78 NQO2 (0.70) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL18387381 0.77 NQO2 (0.54) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL12377711 0.76 NQO2 (0.62) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL28495794 0.76 NQO2 (0.57) NQO2MAPTRAB9AALDH1A1KMT2A

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-20250228880-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2025-07-17 US disclosed
US-20170266215-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-09-21 US disclosed
US-20100124554-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-05-20 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-20250228880-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS TXN2, SQOR, LPO NQO2 528/4885MAPT 2622/4885RAB9A 2637/4885
US-20100124554-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS TXN2, SQOR, LPO NQO2 528/4885MAPT 2622/4885RAB9A 2637/4885
US-20170266215-A1 REDOX-ACTIVE COMPOUNDS AND RELATED COMPOUNDS, COMPOSITIONS, METHODS AND SYSTEMS TXN2, SQOR, LPO NQO2 528/4885MAPT 2622/4885RAB9A 2637/4885

“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.