SCHEMBL6574043

SCHEMBL6574043

Cc1cc(NC(=O)CN(C)c2ccc(C#N)cc2)ccc1C(=O)N(C)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KDM1A O60341 1/20 0.39
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6762415 0.86 NOTUM (0.40) NOTUM
SCHEMBL6565182 0.76 PPARG (0.41) ALDH1A1MAPTNPSR1TP53HPGD
SCHEMBL20941787 0.69 NOTUM (0.58) RORCNOTUMALDH1A1MAPTNPSR1
SCHEMBL13490061 0.66 NOTUM (0.44) NOTUMALDH1A1MAPTHPGDPKM
SCHEMBL6574337 0.66 ALDH1A1 (0.42) RORCALDH1A1MAPTHPGDPKM
SCHEMBL8548179 0.63 L3MBTL1 (0.38) ALDH1A1MAPTNPSR1TP53HPGD
SCHEMBL8016085 0.62 F2 (0.47) ALDH1A1MAPTNPSR1TP53HPGD
SCHEMBL20941576 0.62 ALDH1A1 (0.51) RORCALDH1A1MAPTNPSR1HPGD
SCHEMBL3895619 0.62 BRD4 (0.49) ALDH1A1TP53POLBKMT2A
SCHEMBL1821084 0.62 KMT2A (0.60) RORCALDH1A1KMT2A

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 RORC 1596/4885NOTUM 701/4885ALDH1A1 669/4885

“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.