SCHEMBL7721973

SCHEMBL7721973

COC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPK1 P28482 3/20 0.61
TSHR P16473 3/20 0.61
GAA P10253 2/20 0.61
HSD17B10 Q99714 1/20 0.61
KCNMA1 Q12791 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56

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
SCHEMBL7721009 0.99 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7721863 0.99 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14855876 0.87 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL394289 0.85 KCNMA1 (0.79) ALDH1A1MEN1KMT2AGAAKCNMA1
SCHEMBL195311 0.85 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTKDM4EMAPK1
SCHEMBL7722700 0.84 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL30013910 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTKDM4EMAPK1
Fluoride SCHEMBL27635664 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTKDM4EMAPK1
SCHEMBL7717663 0.82 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1963164 0.82 KMT2A (0.65) ALDH1A1MEN1KMT2AKDM4EMAPK1

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
WO-2002081413-A2 ONE DIMENSIONAL UNICHEMO PROTECTION (UCP) IN ORGANIC SYNTHESIS CARLSBERG A/S (DK) 2002-10-17 WO disclosed
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis CARLSBERG A/S (DK) 2002-10-10 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-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis UMPS, UROD, URB2 ALDH1A1 569/4885MEN1 2257/4885KMT2A 2890/4885

“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.