SCHEMBL13583170

SCHEMBL13583170

Cc1cc([N+](=O)[O-])cc(CNC(=O)O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.41
GPR35 Q9HC97 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13583169 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL2144158 0.85 TGM2 (0.40) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL13583068 0.83 ALOX5 (0.41) ALDH1A1KMT2AMAPTTSHRGPR35
SCHEMBL5746519 0.82 CYP1A2 (0.49) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL14287871 0.79 HTT (0.56) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL5748243 0.78 PDGFRB (0.51) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL5747544 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL31490717 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2011166 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL27734374 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTTSHR

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-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 ALDH1A1 1615/4885MEN1 1168/4885KMT2A 4645/4885

“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.