SCHEMBL6571756

SCHEMBL6571756

CCc1cc(CC)n(-c2ccc(C(Nc3ccc(C#N)cc3)C(N)=O)cc2C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
SETDB1 Q15047 1/20 0.32
HTT P42858 1/20 0.31
PANK3 Q9H999 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
FASN P49327 1/20 0.31
NPY2R P49146 1/20 0.31
MMP2 P08253 1/20 0.31
EPHX2 P34913 1/20 0.31
FPR2 P25090 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6571753 0.77 ALDH1A1 (0.46) L3MBTL1KDM4EGAAMAPTUSP2
SCHEMBL6571802 0.69 FASN (0.43) PANK3FASN
SCHEMBL5882339 0.67 F7 (0.42) HTTL3MBTL1KDM4EGAAMAPT
SCHEMBL5882357 0.67 MMP2 (0.43) HTTPANK3L3MBTL1KDM4EGAA
SCHEMBL5882975 0.64 MMP2 (0.40) CA12CA1CA2CA9HTT
SCHEMBL6574046 0.63 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL5882654 0.63 MMP2 (0.40) HTTL3MBTL1KDM4EGAAMAPT
SCHEMBL5882906 0.62 F10 (0.40) MAPTMMP2LMNA
SCHEMBL5883678 0.62 F7 (0.45) CA12CA1CA2CA9EPHX2
SCHEMBL5882667 0.62 KDM1A (0.40) L3MBTL1KDM4EGAAMAPTMMP2

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.