SCHEMBL6574377

SCHEMBL6574377

CCc1cc(CC)n(-c2ccc(N)cc2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
THRB P10828 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 2/20 0.42
RAD52 P43351 2/20 0.42
GFER P55789 1/20 0.42
NR4A1 P22736 2/20 0.41
PTK2B Q14289 1/20 0.41
NPC1 O15118 3/20 0.34
CASP1 P29466 3/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6574046 0.82 CA12 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL6572878 0.72 POLB (0.40) CA12CA1CA2CA9MAPT
SCHEMBL4610878 0.70 CA12 (0.47) CA12CA1CA2CA9
SCHEMBL8325135 0.69 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL28807614 0.69 CA12 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL4608993 0.69 CA12 (0.43) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2542251 0.69 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL12914051 0.66 CA12 (0.40) CA12CA1CA2CA9MAPT
SCHEMBL24185315 0.65 CA1 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1875312 0.65 CA12 (0.42) CA12CA1CA2CA9MAPT

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
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 CA12 1235/4885CA1 621/4885CA2 343/4885

“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.