SCHEMBL14417232

SCHEMBL14417232

NC(=O)Nc1ccccc1NC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
BRD4 O60885 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
HDAC1 Q13547 1/20 0.43
CHRM3 P20309 2/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
NSD2 O96028 1/20 0.41
HTR6 P50406 3/20 0.41
MAPT P10636 1/20 0.41
EPHX1 P07099 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 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
SCHEMBL377833 0.84 SIRT2 (0.56) CHEK1SIRT2AURKARPS6KB1BRD4
SCHEMBL14498226 0.79 SLC6A2 (0.46) CHEK1SIRT2CHRM3MEN1HTT
SCHEMBL30776204 0.79 GRIK1 (0.52) SIRT2AURKARPS6KB1BRD4ATAD2
SCHEMBL4497370 0.78 AURKA (0.42) SIRT2AURKARPS6KB1BRD4ATAD2
SCHEMBL11506765 0.77 KDM4E (0.68) BRD4ATAD2HDAC1MEN1KMT2A
SCHEMBL13394204 0.77 CHEK2 (0.44) CHEK1BRD4ATAD2KDM4EGAA
SCHEMBL13801296 0.76 MAPK3 (0.46) BRD4MEN1HTTKMT2ASMN1; SMN2
SCHEMBL28528412 0.76 KAT2B (0.46) SIRT2AURKARPS6KB1BRD4ATAD2
Hydrochloric Acid SCHEMBL3304438 0.76 CHEK2 (0.43) CHEK1BRD4ATAD2KDM4EGAA
SCHEMBL10975531 0.75 KMT2A (0.47) AURKARPS6KB1BRD4ATAD2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CHEK1 2366/4885SIRT2 4203/4885AURKA 3060/4885

“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.