SCHEMBL6572878

SCHEMBL6572878

CCc1cc(CC)n(-c2ccc(NC(=O)CBr)cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL6574377 0.72 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL29688982 0.70 POLB (0.76) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL8533501 0.70 POLB (0.76) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL4003419 0.68 ALDH1A1 (0.69) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL11667316 0.67 NPC1 (0.59) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL4004962 0.67 POLB (0.54) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL10741819 0.65 POLB (0.50) POLBALDH1A1MAPTKMT2ARAB9A
SCHEMBL9300058 0.65 ALDH1A1 (0.59) POLBTDP1ALDH1A1MAPTKMT2A
SCHEMBL5866568 0.65 ALDH1A1 (0.52) POLBALDH1A1KMT2ARAB9ACYP1A2
SCHEMBL11922924 0.64 ALDH1A1 (0.51) POLBALDH1A1MAPTKMT2ARAB9A

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 POLB 4091/4885TDP1 1280/4885CA12 1235/4885

“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.