SCHEMBL18153397

SCHEMBL18153397

O=c1oc2cc(O)ccc2cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.74
MIF P14174 10/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 3/20 0.67
KDM4E B2RXH2 2/20 0.67
GLA P06280 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
GAA P10253 2/20 0.67
POLB P06746 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
NPC1 O15118 4/20 0.66
CTDSP1 Q9GZU7 1/20 0.64
PTGS1 P23219 1/20 0.63
ERAP1 Q9NZ08 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
SIRT3 Q9NTG7 1/20 0.62
STS P08842 1/20 0.62

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
SCHEMBL31695377 1.00 ESR2 (0.74) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL27085608 0.92 ESR2 (0.69) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL27736901 0.86 MIF (0.65) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL2166723 0.85 ESR2 (1.00) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL27085595 0.84 XDH (0.71) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL7117138 0.82 MAOB (0.69) ESR2RAB9AALDH1A1HPGDKDM4E
SCHEMBL14879967 0.81 XDH (0.74) MIFMEN1KMT2ARAB9ANPC1
SCHEMBL27085612 0.81 MIF (0.65) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL30023180 0.80 MIF (1.00) ESR2MIFMEN1KMT2ARAB9A
SCHEMBL3281919 0.80 MAOB (0.80) RAB9AALDH1A1KDM4ETDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313532-A1 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE 2025-10-09 US disclosed
EP-4532016-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF University of Maryland, Baltimore (US) 2025-04-09 EP disclosed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed
WO-2023235753-A2 ALDH2 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-12-07 WO disclosed
US-10718028-B2 Fluorescent probes for abasic site detection CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-21 US disclosed
US-10718028-B2 Fluorescent probes for abasic site detection CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-21 US disclosed
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION CASE WESTERN RESERVE UNIVERSITY 2018-05-10 US disclosed
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION CASE WESTERN RESERVE UNIVERSITY 2018-05-10 US disclosed
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION CASE WESTERN RESERVE UNIVERSITY 2018-05-10 US disclosed
WO-2016168467-A2 FLUORESCENT PROBES FOR ABASIC SITE DETECTION CASE WESTERN RESERVE UNIVERSITY (US) 2016-10-20 WO disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 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-10718028-B2 Fluorescent probes for abasic site detection OGG1, UNG, AP2B1 ESR2 2087/4885MIF 4821/4885MEN1 4876/4885
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION OGG1, UNG, AP2B1 ESR2 2087/4885MIF 4821/4885MEN1 4876/4885
US-20250313532-A1 ALDH2 INHIBITORS AND METHODS OF USE THEREOF ADH1A, ALDH1A1, ADH1C ESR2 711/4885MIF 2472/4885MEN1 4378/4885

“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.