SCHEMBL3406517

SCHEMBL3406517

Clc1cc(Oc2c(Cl)cccc2Cl)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.42
KDR P35968 3/20 0.39
MAPK14 Q16539 3/20 0.39
TNNI3K Q59H18 3/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RARG P13631 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL191210 0.76 NPC1 (0.61) KMOKDRTNNI3KCYP1A2CYP2C19
SCHEMBL692108 0.75 CYP1A2 (0.53) KMOCYP1A2CYP2C19NPC1RAB9A
SCHEMBL1401622 0.74 KDM4E (0.43) KMT2ACYP1A2CYP2C19LMNANPSR1
SCHEMBL28165762 0.73 KDM4E (0.47) KMT2ACYP1A2CYP2C19LMNAKDM4E
SCHEMBL691398 0.73 NPC1 (0.57) KMOKDRTNNI3KKMT2ACYP1A2
SCHEMBL31384071 0.73 MAOB (0.49) KMOKMT2ACYP1A2CYP2C19KDM4E
SCHEMBL1414937 0.72 MEN1 (0.54) KMOKMT2ACYP1A2CYP2C19LMNA
SCHEMBL307909 0.71 MEN1 (0.49) KMT2ALMNANPSR1NPC1RAB9A
SCHEMBL28165557 0.71 ALDH1A1 (0.38) KMT2ACYP1A2CYP2C19LMNANPSR1
SCHEMBL7757243 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB KMO 4286/4885KDR 3445/4885MAPK14 4295/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB KMO 4246/4885KDR 3577/4885MAPK14 4301/4885

“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.