SCHEMBL7586296

SCHEMBL7586296

O=C(O)c1cc([N+](=O)[O-])ccc1N(c1ccccc1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 6/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 3/20 0.51
TP53 P04637 1/20 0.51
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41

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
SCHEMBL11306379 0.77 HTT (0.63) MAPTALDH1A1NPSR1HTTTP53
SCHEMBL11099515 0.77 ALDH1A1 (0.71) MAPTALDH1A1NPSR1HTTTP53
SCHEMBL11108508 0.74 ALDH1A1 (0.55) MAPTALDH1A1NPSR1HTTTP53
SCHEMBL11100604 0.74 HTT (0.55) MAPTALDH1A1NPSR1HTTTP53
SCHEMBL11144634 0.72 ALDH1A1 (0.48) MAPTALDH1A1NPSR1HTTTP53
SCHEMBL6846910 0.72 TP53 (0.62) MAPTALDH1A1HTTTP53CTSV
SCHEMBL11146296 0.71 ALDH1A1 (0.50) MAPTALDH1A1NPSR1HTTTP53
SCHEMBL3885646 0.71 ALDH1A1 (1.00) MAPTALDH1A1HTTTP53CTSV
SCHEMBL27581466 0.71 TP53 (0.61) MAPTALDH1A1HTTTP53CTSV
SCHEMBL27719081 0.70 ABCC1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 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-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A MAPT 4706/4885ALDH1A1 253/4885NPSR1 2833/4885

“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.