SCHEMBL7003341

SCHEMBL7003341

CCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
MAPT P10636 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PGR P06401 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 2/20 0.37
POLB P06746 1/20 0.37
PABPC1 P11940 1/20 0.37
BRPF1 P55201 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7535425 0.92 HDAC4 (0.62) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL5165770 0.90 HDAC4 (0.59) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL7537746 0.89 HDAC4 (0.54) HDAC4MAPTKMT2AMEN1TSHR
SCHEMBL7538308 0.89 HDAC4 (0.54) HDAC4MAPTKMT2AMEN1TSHR
SCHEMBL5166405 0.87 HDAC4 (0.43) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL6999887 0.85 HDAC4 (0.78) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL7600409 0.82 HDAC4 (0.57) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL5165137 0.80 HDAC4 (0.44) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL7600234 0.80 HDAC4 (0.53) HDAC4MAPTKMT2AMEN1PGR
SCHEMBL7600695 0.79 MEN1 (0.49) HDAC4KMT2AMEN1PGRSMN1; SMN2

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 5 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-20020173520-A1 Quinoline derivatives ACTIVE BIOTECH AB (SE) 2002-11-21 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 (2 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-20020173520-A1 Quinoline derivatives CYP4F3, IRF3, CXCR3 HDAC4 2957/4885MAPT 2090/4885KMT2A 2250/4885
US-20020173519-A1 Quinoline derivatives CASP1, NFKBIA, IL1B HDAC4 1771/4885MAPT 65/4885KMT2A 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.