SCHEMBL7046909

SCHEMBL7046909

CN(C(=O)c1ccccc1)c1ccc(CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 1/20 0.54
NR1H3 Q13133 2/20 0.54
NR1H2 P55055 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
NR1H4 Q96RI1 1/20 0.51
HTT P42858 1/20 0.50
MAOA P21397 2/20 0.49
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE10A Q9Y233 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
PLAU P00749 1/20 0.46
ACACB O00763 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL27326764 0.86 KMT2A (0.54) KMT2AKDM4EEGFRERBB2HTT
SCHEMBL9001651 0.86 KMT2A (0.69) KMT2AKDM4ENR1H3NR1H2EGFR
SCHEMBL27503156 0.85 PIK3CA (0.43) KMT2AKDM4ENR1H3NR1H2EGFR
SCHEMBL15014106 0.85 KMT2A (0.56) KMT2AKDM4ENR1H3NR1H2EGFR
SCHEMBL13181080 0.82 ESR1 (0.55) KMT2AKDM4ENR1H3NR1H2EGFR
SCHEMBL493114 0.82 KMT2A (0.75) KMT2AKDM4ENR1H3NR1H2EGFR
Cyclopropane SCHEMBL28956243 0.81 NR1H4 (0.47) KMT2AKDM4EEGFRERBB2NR1H4
SCHEMBL3454509 0.81 KMT2A (0.59) KMT2AKDM4ENR1H3NR1H2EGFR
SCHEMBL12812295 0.81 KDM4E (0.59) KMT2AKDM4EEGFRERBB2NR1H4
SCHEMBL13152573 0.81 NR1H4 (0.56) KMT2AKDM4ENR1H3NR1H2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301464-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2003-04-16 EP disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US disclosed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 KMT2A 2379/4885KDM4E 1707/4885NR1H3 173/4885

“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.