SCHEMBL6804089

SCHEMBL6804089

N#CC(=CC(=O)O)c1cccc([N+](=O)[O-])c1.[KH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 5/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL6804080 1.00 TP53 (0.56) TP53CES2CES1ALDH1A1TSHR
Potassium Ion SCHEMBL6804091 0.97 TP53 (0.56) TP53CES2CES1ALDH1A1TSHR
Potassium Ion SCHEMBL6804082 0.86 CES2 (0.54) TP53CES2CES1ALDH1A1TSHR
SCHEMBL21457629 0.83 ALDH1A1 (0.51) TP53CES2CES1ALDH1A1TSHR
SCHEMBL6744132 0.82 L3MBTL1 (0.42) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL21457186 0.80 ALDH1A1 (0.48) TP53CES2CES1ALDH1A1TSHR
SCHEMBL21457755 0.80 KMT2A (0.56) TP53CES2CES1ALDH1A1TSHR
SCHEMBL7783945 0.79 TP53 (0.67) TP53CES2CES1ALDH1A1TSHR
SCHEMBL4173663 0.78 ALDH1A1 (0.56) TP53CES2CES1ALDH1A1TSHR
SCHEMBL4173656 0.78 ALDH1A1 (0.56) TP53CES2CES1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A TP53 4695/4885CES2 911/4885CES1 737/4885

“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.