SCHEMBL7003632

SCHEMBL7003632

CN(C(=O)c1c(O)c2c(OC(F)(F)F)cccc2n(C)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.68
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PGR P06401 1/20 0.49
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
GPBAR1 Q8TDU6 9/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL7236257 0.89 HDAC4 (0.73) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7002185 0.88 HDAC4 (0.76) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7003940 0.85 HDAC4 (0.79) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL6999935 0.85 HDAC4 (0.63) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL5165280 0.83 HDAC4 (0.58) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL5166744 0.82 HDAC4 (0.57) HDAC4MEN1KMT2APGRALDH1A1
Tasquinimod SCHEMBL29362522 0.81 HDAC4 (1.00) HDAC4MEN1KMT2APGRGPBAR1
Tasquinimod SCHEMBL4476895 0.81 HDAC4 (1.00) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL18416042 0.80 HDAC4 (0.87) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7623491 0.80 HDAC4 (0.54) HDAC4MEN1KMT2APGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095021-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2003-09-17 EP disclosed
US-6593343-B2 Quinoline derivatives ACTIVE BIOTECH AB (SE) 2003-07-15 US disclosed
US-20020173519-A1 Quinoline derivatives ACTIVE BIOTECH AB (SE) 2002-11-21 US disclosed
US-6133285-A 1-METHYL-2-OXO-3-N-PHENYL-N-METHYLAMINOCARBONYL-4-HYDROXY-1,2 -DIHYDRO-QUINOLINES; AUTOIMMUNE DISEASE AND PATHOLOGICAL INFLAMMATION, E.G., ASTHMA, ATHEROSCLEROSIS, STROKE AND ALZHEIMER'S DISEASE AND, ESPECIALLY, MULTIPLE SCLEROSIS ACTIVE BIOTECH AB (SE) 2000-10-17 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-20020173519-A1 Quinoline derivatives CASP1, NFKBIA, IL1B HDAC4 1771/4885MEN1 1499/4885KMT2A 3692/4885

“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.