SCHEMBL6799402

SCHEMBL6799402

CC(=O)C(C)N(C=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GLO1 Q04760 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2017690 0.75 ALDH1A1 (0.56) ALDH1A1GLO1SMN1; SMN2TSHRLMNA
SCHEMBL6802849 0.75 ALDH1A1 (0.49) ALDH1A1GLO1SMN1; SMN2TSHRLMNA
SCHEMBL3219108 0.74 MAPK1 (0.49) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL6773484 0.74 ALDH1A1 (0.51) ALDH1A1GLO1SMN1; SMN2TSHRLMNA
SCHEMBL12550512 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL13716196 0.73 ALDH1A1 (0.54) ALDH1A1TSHRLMNAKMT2AMAPT
SCHEMBL15678236 0.72 ALDH1A1 (0.49) ALDH1A1GLO1SMN1; SMN2TSHRLMNA
SCHEMBL7195191 0.72 ALDH1A1 (0.56) ALDH1A1GLO1SMN1; SMN2TSHRLMNA
SCHEMBL15155882 0.72 ATM (0.55) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A
SCHEMBL4959484 0.72 ATM (0.55) ALDH1A1SMN1; SMN2TSHRLMNAKMT2A

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-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

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 ALDH1A1 386/4885GLO1 3892/4885SMN1; SMN2 3815/4885

“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.