SCHEMBL3000319

SCHEMBL3000319

O=C(O)c1ccc(CO[N+](=O)[O-])c(-c2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 2/20 0.42
▸ PTPN1 P18031 4/20 0.38
▸ PTPN2 P17706 2/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ FTO Q9C0B1 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ DCLRE1A Q6PJP8 1/20 0.35
▸ DCLRE1B Q9H816 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ HMGB1 P09429 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CA4 P22748 1/20 0.34

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
SCHEMBL16599420 0.81 KDM4E (0.41) KDM4EALDH1A1HMGB1HPGDNAPRT
SCHEMBL7100352 0.79 HMGB1 (0.51) HNF4APTPN1PTPN2PTPN6KDM4E
SCHEMBL3639419 0.78 HNF4A (0.45) HNF4APTPN1PTPN2PTPN6FTO
SCHEMBL2960866 0.76 TP53 (0.50) MAPTKDM4ECA12ALDH1A1CA1
SCHEMBL2998912 0.76 HNF4A (0.49) HNF4AFTOKDM4ECA12ALDH1A1
SCHEMBL3000318 0.76 HNF4A (0.49) HNF4AFTOKDM4ECA12ALDH1A1
SCHEMBL11342801 0.75 HNF4A (0.50) HNF4APTPN1PTPN2PTPN6FTO
SCHEMBL2713834 0.73 HNF4A (0.52) HNF4APTPN1PTPN2PTPN6ACMSD
SCHEMBL2998914 0.73 HNF4A (0.52) HNF4APTPN1PTPN2PTPN6ACMSD
SCHEMBL28087917 0.71 PTPN1 (0.44) PTPN1PTPN2PTPN6CA12CA1

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 4088/4885PTPN1 1866/4885PTPN2 2306/4885

“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.

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