SCHEMBL7722700

SCHEMBL7722700

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KCNMA1 Q12791 1/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CTSD P07339 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.58
NCOA1 Q15788 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
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
SCHEMBL7717663 0.98 ALDH1A1 (0.66) ALDH1A1KCNMA1MEN1KMT2AKDM4E
SCHEMBL394289 0.89 KCNMA1 (0.79) ALDH1A1KCNMA1MEN1KMT2AGAA
SCHEMBL7159815 0.88 CRHBP (0.68) ALDH1A1KCNMA1MEN1KMT2AKDM4E
SCHEMBL4958325 0.88 KCNMA1 (0.64) ALDH1A1KCNMA1MEN1KMT2AKDM4E
SCHEMBL7825604 0.88 KCNMA1 (0.73) ALDH1A1KCNMA1MEN1KMT2AKDM4E
SCHEMBL4958316 0.88 KCNMA1 (0.64) ALDH1A1KCNMA1MEN1KMT2AKDM4E
SCHEMBL25054248 0.87 KMT2A (0.69) KCNMA1MEN1KMT2AGAACYP2C9
SCHEMBL16034741 0.86 TDP1 (0.69) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11326278 0.85 CTSD (0.79) ALDH1A1KCNMA1MEN1KMT2AGAA
SCHEMBL28069367 0.84 KCNMA1 (0.78) ALDH1A1KCNMA1MEN1KMT2AGAA

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
CN-105732519-A Synthetic method of nitrogenous heterocyclic compound 武汉理工大学 2016-07-06 CN disclosed
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 569/4885KCNMA1 2549/4885MEN1 2257/4885

“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.