SCHEMBL18153391

SCHEMBL18153391

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.64
MAOB P27338 5/20 0.56
XDH P47989 1/20 0.54
MAOA P21397 3/20 0.51
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
ACHE P22303 1/20 0.49
POLB P06746 2/20 0.48
PGR P06401 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
TP53 P04637 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
SCHEMBL18153415 0.88 STS (0.66) STSMAOBXDHMAOANPC1
SCHEMBL18153371 0.83 STS (0.59) STSMAOBXDHMAOANPC1
SCHEMBL14879967 0.82 XDH (0.74) STSMAOBXDHMAOANPC1
SCHEMBL20127033 0.79 STS (0.54) STSMAOBXDHMAOANPC1
SCHEMBL27085607 0.77 XDH (0.82) STSMAOBXDHMAOANPC1
SCHEMBL18153397 0.75 ESR2 (0.74) STSMAOBMAOANPC1RAB9A
SCHEMBL31695377 0.75 ESR2 (0.74) STSMAOBMAOANPC1RAB9A
SCHEMBL7886515 0.75 CA12 (0.50) MAOBMAOANPC1RAB9AKDM4E
SCHEMBL18535597 0.75 MAOB (0.62) STSMAOBMAOANPC1RAB9A
SCHEMBL519168 0.74 DRD2 (0.58) ALDH1A1MEN1KMT2A

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 4 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
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 3008/4885MAOB 1711/4885XDH 216/4885
US-20180127830-A1 FLUORESCENT PROBES FOR ABASIC SITE DETECTION OGG1, UNG, AP2B1 STS 3008/4885MAOB 1711/4885XDH 216/4885

“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.