SCHEMBL18153371

SCHEMBL18153371

O=C(O)NOCCCOc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.59
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
MAOB P27338 2/20 0.50
POLB P06746 2/20 0.50
XDH P47989 1/20 0.48
MAOA P21397 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PPARG P37231 1/20 0.45
PTPN7 P35236 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL20127033 0.88 STS (0.54) STSNPC1RAB9AMAOBPOLB
SCHEMBL18153415 0.86 STS (0.66) STSNPC1RAB9AMAOBPOLB
SCHEMBL18153391 0.83 STS (0.64) STSNPC1RAB9AMAOBPOLB
SCHEMBL14879967 0.76 XDH (0.74) STSNPC1RAB9AMAOBXDH
SCHEMBL20127023 0.73 MAOB (0.59) NPC1RAB9AMAOBPOLBMAOA
SCHEMBL18153397 0.72 ESR2 (0.74) STSNPC1RAB9AMAOBPOLB
SCHEMBL31695377 0.72 ESR2 (0.74) STSNPC1RAB9AMAOBPOLB
SCHEMBL18153394 0.72 MAOB (0.57) STSNPC1RAB9AMAOBPOLB
SCHEMBL27085607 0.72 XDH (0.82) STSNPC1RAB9AMAOBXDH
SCHEMBL27085612 0.72 MIF (0.65) STSNPC1RAB9AMAOBPOLB

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-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
WO-2016168467-A2 FLUORESCENT PROBES FOR ABASIC SITE DETECTION CASE WESTERN RESERVE UNIVERSITY (US) 2016-10-20 WO 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-10718028-B2 Fluorescent probes for abasic site detection OGG1, UNG, AP2B1 STS 3008/4885NPC1 4258/4885RAB9A 4715/4885
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION OGG1, UNG, AP2B1 STS 3008/4885NPC1 4258/4885RAB9A 4715/4885

“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.