SCHEMBL4630869

SCHEMBL4630869

COc1cc(F)c(F)cc1CNC1CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 3/20 0.56
KDM1A O60341 2/20 0.47
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
TSHR P16473 2/20 0.41
KCNH2 Q12809 1/20 0.41
PABPC1 P11940 1/20 0.41

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
SCHEMBL20767017 0.88 KDM4E (0.54) MEN1KMT2AKDM4EGAAHTT
SCHEMBL4630873 0.84 ALDH1A1 (0.54) MEN1KMT2AKDM4EGAAHTT
SCHEMBL2471248 0.82 KDM1A (0.59) MEN1KMT2AKDM4EGAAHTT
SCHEMBL14036685 0.79 MEN1 (0.65) MEN1KMT2AKDM4EGAAHTT
SCHEMBL20767035 0.78 DPP4 (0.53) MEN1KMT2AKDM4EGAAHTT
SCHEMBL8758182 0.76 KDM1A (0.50) KDM1AHTR2AHTR2CHTR2BMAOA
SCHEMBL8758176 0.76 KDM1A (0.50) KDM1AHTR2AHTR2CHTR2BMAOA
SCHEMBL8758190 0.76 KDM1A (0.50) KDM1AHTR2AHTR2CHTR2BMAOA
SCHEMBL29114695 0.75 TSHR (0.66) MEN1KMT2AKDM4EGAAHTT
SCHEMBL5798027 0.75 KDM4E (0.56) MEN1KMT2AKDM4EGAAHTT

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
EP-1470103-B1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2008-05-14 EP disclosed
US-7153814-B2 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. (US) 2006-12-26 US disclosed
US-20050059736-A1 Amidoacetonitrile derivatives NOVARTIS ANIMAL HEALTH US, INC. 2005-03-17 US disclosed
EP-1470103-A1 AMIDOACETONITRILE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
WO-2003059868-A1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2003-07-24 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-20050059736-A1 Amidoacetonitrile derivatives ARG1, NAT1, NMBR MEN1 322/4885KMT2A 2219/4885KDM4E 4454/4885

“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.