SCHEMBL3000318

SCHEMBL3000318

O=C(O)c1cccc(-c2ccccc2CO[N+](=O)[O-])c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.49
▸ HMGB1 P09429 2/20 0.42
▸ FOLH1 Q04609 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ ALB P02768 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MMP2 P08253 1/20 0.37

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
SCHEMBL2998912 1.00 HNF4A (0.49) HNF4AHMGB1FOLH1SMN1; SMN2ALDH1A1
SCHEMBL7100352 0.87 HMGB1 (0.51) HNF4AHMGB1FOLH1SMN1; SMN2ALDH1A1
SCHEMBL2960866 0.82 TP53 (0.50) HMGB1FOLH1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2713834 0.78 HNF4A (0.52) HNF4AMCL1
SCHEMBL2998914 0.78 HNF4A (0.52) HNF4AMCL1
SCHEMBL8406933 0.76 HNF4A (0.61) HNF4AHMGB1FOLH1SMN1; SMN2ALDH1A1
SCHEMBL5149418 0.76 HMGB1 (0.56) HNF4AHMGB1FOLH1ALDH1A1KDM4E
SCHEMBL3000319 0.76 HNF4A (0.42) HNF4AHMGB1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1913566 0.75 HSD17B10 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5678745 0.73 HNF4A (0.76) HNF4AHMGB1SMN1; SMN2ALDH1A1KDM4E

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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 — — US claimed
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 — — 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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NOS1, NOS2, NOS3 HNF4A 4088/4885HMGB1 2698/4885FOLH1 2738/4885

“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.

Send feedback