SCHEMBL23698779

SCHEMBL23698779

O=C(O)CCCCC(=O)OCOc1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
ALDH1A1 P00352 7/20 0.49
CTSB P07858 5/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 2/20 0.49
BRD4 O60885 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
ALOX12 P18054 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR2C P28335 1/20 0.49
CTH P32929 1/20 0.49
PTGS2 P35354 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
SCHEMBL23698778 0.96 MAPT (0.53) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL21816840 0.93 MAPT (0.51) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL21816898 0.91 MAPT (0.56) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL23698658 0.90 MAPT (0.49) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL23698719 0.90 CTSB (0.48) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL23715371 0.90 LMNA (0.53) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL31229275 0.90 LMNA (0.53) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL23698653 0.89 CTSB (0.48) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL23698711 0.89 CTSB (0.48) MAPTALDH1A1CTSBLMNASMN1; SMN2
SCHEMBL23698745 0.89 CTSB (0.48) MAPTALDH1A1CTSBLMNASMN1; SMN2

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-20210363165-A1 NITROXOLINE PRODRUG AND USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2021-11-25 US disclosed
EP-3858814-A1 NITROXOLINE PRODRUG AND USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2021-08-04 EP 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-20210363165-A1 NITROXOLINE PRODRUG AND USE THEREOF NOS1, NOS2, NNT MAPT 2243/4885ALDH1A1 706/4885CTSB 2242/4885

“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.