SCHEMBL9723244

SCHEMBL9723244

COc1cc([N+](=O)[O-])c2nccc(C)c2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 4/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
CTSB P07858 1/20 0.45
LMNA P02545 7/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 6/20 0.41
TDP1 Q9NUW8 5/20 0.41
PKM P14618 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSP90AA1 P07900 2/20 0.41

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
SCHEMBL1382900 0.85 MEN1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11545477 0.85 MEN1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10946051 0.84 MEN1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13811021 0.84 MEN1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13811001 0.80 SRC (0.37) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL11065509 0.79 MAOA (0.44) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10943626 0.77 LMNA (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL10944706 0.77 MAPT (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10949964 0.77 SMN1; SMN2 (0.39) MAPTMEN1KMT2AGAACTSB
SCHEMBL10942288 0.77 SMN1; SMN2 (0.39) MAPTMEN1KMT2AGAACTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809368-B2 Compounds affecting gap junction activity KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-8809368-B2 Compounds affecting gap junction activity KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 US disclosed
WO-2007127930-A2 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-11-08 WO disclosed
US-5104885-A 5-(phenylalkoxy)primaquine and 5[(heterocycle)alkoxy] primaquine compounds and their use for treatment of malaria CALSPAN CORPORATION (US) 1992-04-14 US disclosed
US-4980360-A NONTOXIC AT HIGHER DOSAGES CALSPAN CORPORATION (US) 1990-12-25 US disclosed
US-4554279-A PLASMODICIDAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-11-19 US disclosed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 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 (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-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY GJB2, GJA1, GAP43 MAPT 2537/4885MEN1 2903/4885KMT2A 4622/4885

“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.