SCHEMBL4955596

SCHEMBL4955596

O=[C]c1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
CYP19A1 P11511 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GPR35 Q9HC97 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 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
SCHEMBL29954391 0.84 VCAM1 (0.67) VCAM1CYP19A1
SCHEMBL6330190 0.82 CYP19A1 (0.54) VCAM1CYP19A1MEN1KMT2AHTT
SCHEMBL7020973 0.80 VCAM1 (0.58) VCAM1CYP19A1MEN1KMT2AHTT
SCHEMBL348329 0.80 VCAM1 (0.64) VCAM1CYP19A1MEN1KMT2AHTT
SCHEMBL12265205 0.76 ALDH1A1 (0.47) CYP19A1MEN1KMT2AHTTLMNA
Dimethylformamide SCHEMBL30939439 0.75 VCAM1 (0.53) VCAM1KMT2AHTTLMNAKDM4E
SCHEMBL8297742 0.74 TSHR (0.63) CYP19A1MEN1KMT2AHTTLMNA
SCHEMBL22206136 0.74 CYP19A1 (0.40) CYP19A1MEN1KMT2AHTTLMNA
SCHEMBL3755068 0.74 ACP1 (0.41) CYP19A1MEN1KMT2AHTTLMNA
SCHEMBL2016539 0.74 ALDH1A1 (0.46) CYP19A1HTTTSHRSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317000-B2 Glucose-dependent insulins NOVO NORDISK A/S (DK) 2008-01-08 US claimed
US-7316999-B2 Glucose dependent release of insulin from glucose sensing insulin derivatives NOVO NORDISK A/S (DK) 2008-01-08 US disclosed
US-7317000-B2 Glucose-dependent insulins NOVO NORDISK A/S (DK) 2008-01-08 US disclosed
EP-1453860-A2 NOVEL GLUCOSE-DEPENDANT INSULINS NOVO NORDISK A/S (DK) 2004-09-08 EP disclosed
US-20030186846-A1 Novel glucose-dependent insulins NOVO NORDISK A/S (DK) 2003-10-02 US disclosed
WO-2003048195-A2 GLUCOSE DEPENDANT RELEASE OF INSULIN FROM GLUCOSE SENSING INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed
EP-1290024-A1 GLUCOSE DEPENDENT RELEASE OF INSULIN FROM GLUCOSE SENSING INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2003-03-12 EP disclosed
US-20020028767-A1 Glucose dependent release of insulin from glucose sensing insulin derivatives NOVO NORDISK A/S (DK) 2002-03-07 US disclosed
WO-2001092334-A1 GLUCOSE DEPENDENT RELEASE OF INSULIN FROM GLUCOSE SENSING INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2001-12-06 WO 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 (2 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-20020028767-A1 Glucose dependent release of insulin from glucose sensing insulin derivatives GPR119, IRS1, IAPP VCAM1 2152/4885CYP19A1 1073/4885MEN1 598/4885
US-20030186846-A1 Novel glucose-dependent insulins GPR119, IAPP, INSR VCAM1 2702/4885CYP19A1 585/4885MEN1 985/4885

“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.