SCHEMBL25248243

SCHEMBL25248243

COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.60
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KCNMA1 Q12791 2/20 0.55
ALDH1A1 P00352 9/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL25291012 0.85 KCNMA1 (0.67) EPHX1NPC1RAB9AKCNMA1ALDH1A1
SCHEMBL25247901 0.82 EPHX1 (0.63) EPHX1NPC1RAB9AKCNMA1ALDH1A1
SCHEMBL25298861 0.81 EPHX1 (0.61) EPHX1NPC1RAB9AKCNMA1ALDH1A1
SCHEMBL25287354 0.81 EPHX1 (0.64) EPHX1NPC1RAB9AKCNMA1ALDH1A1
SCHEMBL25248057 0.81 EPHX1 (0.64) EPHX1KCNMA1ALDH1A1MAPTKDM4E
SCHEMBL30831348 0.81 KCNMA1 (0.67) EPHX1NPC1RAB9AKCNMA1ALDH1A1
SCHEMBL25295669 0.80 EPHX1 (0.63) EPHX1KCNMA1ALDH1A1MAPTKDM4E
SCHEMBL25250292 0.79 EPHX1 (0.56) EPHX1NPC1RAB9AKCNMA1ALDH1A1
SCHEMBL11224174 0.79 CXCR2 (0.60) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL25298506 0.78 EPHX1 (0.60) EPHX1KCNMA1ALDH1A1MAPTKDM4E

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-20250100980-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2025-03-27 US disclosed
WO-2023121022-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF 이화여자대학교 산학협력단 2023-06-29 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 (1 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-20250100980-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF LTB4R2, LTB4R, CYSLTR2 EPHX1 197/4885NPC1 1534/4885RAB9A 4301/4885

“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.