SCHEMBL6428240

SCHEMBL6428240

O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.64
▸ KMT2A Q03164 8/20 0.64
▸ PAX8 Q06710 3/20 0.64
▸ JAK2 O60674 2/20 0.63
▸ MAPT P10636 5/20 0.57
▸ NR1H4 Q96RI1 1/20 0.56
▸ DDIT3 P35638 1/20 0.56
▸ LMNA P02545 5/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ CTSV O60911 1/20 0.53
▸ CTSL P07711 1/20 0.53

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
SCHEMBL6427480 0.82 MEN1 (0.75) MEN1KMT2APAX8JAK2MAPT
SCHEMBL1520209 0.82 DDIT3 (0.78) MEN1KMT2APAX8JAK2MAPT
SCHEMBL5224758 0.81 MEN1 (0.67) MEN1KMT2AMAPTNR1H4LMNA
SCHEMBL6429046 0.81 JAK2 (0.74) MEN1KMT2APAX8JAK2MAPT
SCHEMBL22822855 0.80 JAK2 (0.73) MEN1KMT2APAX8JAK2MAPT
SCHEMBL24291456 0.80 LMNA (0.71) MEN1KMT2APAX8JAK2MAPT
SCHEMBL11550139 0.78 NR1H4 (0.81) MEN1KMT2AMAPTNR1H4LMNA
SCHEMBL22804220 0.77 JAK2 (0.73) MEN1KMT2APAX8JAK2MAPT
SCHEMBL22822561 0.77 JAK2 (0.77) MEN1KMT2APAX8JAK2MAPT
SCHEMBL13219526 0.77 JAK2 (1.00) MEN1KMT2APAX8JAK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 — — US claimed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 — — US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 — — 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 (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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 MEN1 4703/4885KMT2A 2545/4885PAX8 4025/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 MEN1 4749/4885KMT2A 2476/4885PAX8 4030/4885

“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.

Send feedback