SCHEMBL2012102

SCHEMBL2012102

CCN(CC)Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
HTT P42858 5/20 0.44
GAA P10253 3/20 0.44
THRB P10828 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL12955135 0.84 ALDH1A1 (0.58) ALDH1A1HIF1ACYP1A2HTTGAA
SCHEMBL9416718 0.84 PRKCI (0.56) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4532764 0.83 ALDH1A1 (0.53) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL19363639 0.80 ALDH1A1 (0.53) ALDH1A1HIF1ACYP1A2HTTGAA
SCHEMBL29471963 0.80 ALDH1A1 (0.56) ALDH1A1HIF1ACYP1A2HTTGAA
SCHEMBL830636 0.80 ALDH1A1 (0.56) ALDH1A1HIF1ACYP1A2HTTGAA
SCHEMBL4010461 0.79 HSD17B10 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29405939 0.78 ALDH1A1 (0.54) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL30517202 0.78 HTT (0.50) ALDH1A1HIF1ACYP1A2CYP2D6CYP2C9
SCHEMBL15076454 0.78 ALDH1A1 (0.58) ALDH1A1HIF1ACYP1A2HTTGAA

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-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
WO-2000014070-A1 ANTIMALARIAL COMPOUNDS UFC LIMITED (GB) 2000-03-16 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 ALDH1A1 1615/4885HIF1A 979/4885CYP1A2 330/4885

“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.