SCHEMBL2012983

SCHEMBL2012983

Cc1ccc(S(=O)(=O)OCc2cc([N+](=O)[O-])ccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 3/20 0.45
CYP19A1 P11511 4/20 0.45
LMNA P02545 1/20 0.44
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
BCHE P06276 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CA9 Q16790 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 1/20 0.40

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
SCHEMBL556153 0.86 ACHE (0.46) KMT2AMEN1RAB9ACYP19A1ACHE
SCHEMBL14407435 0.85 PRMT5 (0.45) KMT2AMEN1RAB9ACYP19A1ACHE
SCHEMBL63952 0.84 CYP1A2 (0.46) KMT2AMEN1RAB9ACYP19A1ACHE
SCHEMBL25462640 0.83 PSEN1 (0.46) KMT2AMEN1RAB9AACHEBCHE
SCHEMBL197968 0.79 ACHE (0.57) KMT2AMEN1RAB9ACYP19A1ACHE
SCHEMBL778393 0.77 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL2551504 0.77 CYP1A2 (0.61) KMT2AMEN1CYP19A1LMNAACHE
SCHEMBL2474262 0.77 ALDH1A1 (0.51) CYP19A1LMNAALDH1A1HIF1AGAA
SCHEMBL29625924 0.77 ALDH1A1 (0.51) CYP19A1LMNAALDH1A1HIF1AGAA
SCHEMBL14099608 0.77 ACHE (0.43) KMT2AMEN1RAB9ACYP19A1ACHE

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 4 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
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE 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 Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE 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) 2011-06-23 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 (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 KMT2A 4645/4885MEN1 1168/4885RAB9A 3204/4885

“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.