SCHEMBL6397367

SCHEMBL6397367

O=C(OCC1CCCCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.45
GAA P10253 1/20 0.44
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5017678 0.99 HTR2A (0.50) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL29550444 0.96 HTR2A (0.50) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL6816689 0.93 SIGMAR1 (0.52) HTR2ACYP1A2CYP2D6KMT2ASIGMAR1
SCHEMBL25184955 0.87 HTR2A (0.47) HTR2ACYP1A2CYP2D6KMT2ASIGMAR1
SCHEMBL6820153 0.87 MAPT (0.49) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL313620 0.85 SIGMAR1 (0.51) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL20729823 0.84 HTR2A (0.47) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL16694512 0.84 SIGMAR1 (0.50) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL16694856 0.83 ALDH1A1 (0.47) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A
SCHEMBL21097203 0.83 HTR2A (0.51) HTR2ACYP1A2CYP2D6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20050026994-A1 Use of 2, 4diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors FRANCE DENNIS (US) 2005-02-03 US disclosed
EP-1173413-B1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS NOVARTIS AG (CH) 2004-06-30 EP disclosed
EP-1173413-A1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS Novartis AG (CH) 2002-01-23 EP disclosed
WO-2000064863-A1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS NOVARTIS AG (CH) 2000-11-02 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-20050026994-A1 Use of 2, 4diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors PSMB3, PSMB2, PSMB1 HTR2A 972/4885CYP1A2 2124/4885CYP2D6 1129/4885
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS GPR119, FABP4, ADIPOR2 HTR2A 203/4885CYP1A2 1352/4885CYP2D6 3779/4885

“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.