SCHEMBL11067804

SCHEMBL11067804

COc1cc([N+](=O)[O-])c2nccc(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NSD2 O96028 2/20 0.44
CASP6 P55212 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NFKBIA P25963 1/20 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
SCHEMBL11545298 0.83 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL9360289 0.82 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11544963 0.79 MEN1 (0.47) MEN1KMT2ACASP6SMN1; SMN2ALDH1A1
SCHEMBL11545084 0.78 MAPT (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL24716663 0.77 KMT2A (0.50) MEN1KMT2ACASP6SMN1; SMN2ALDH1A1
SCHEMBL1378967 0.75 HSP90AA1 (0.62) MEN1KMT2ACASP6SMN1; SMN2ALDH1A1
SCHEMBL10290496 0.75 NSD2 (0.50) MEN1KMT2ANSD2CASP6SMN1; SMN2
SCHEMBL24916289 0.75 NSD2 (0.50) MEN1KMT2ANSD2CASP6ALDH1A1
SCHEMBL4642926 0.74 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2932255 0.74 NSD2 (0.49) MEN1KMT2ANSD2CASP6ALDH1A1

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 6 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
US-20090143425-A1 COMPOUNDS AFFECTING GAP JUNCTION ACTIVITY KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-06-04 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
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 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 MEN1 2903/4885KMT2A 4622/4885NSD2 3964/4885

“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.