SCHEMBL7003940

SCHEMBL7003940

COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(OC(F)(F)F)cc1)c(=O)n2C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.79
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PGR P06401 1/20 0.48
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 3/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
HIF1A Q16665 2/20 0.39
GPR139 Q6DWJ6 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PABPC1 P11940 1/20 0.36
BLM P54132 1/20 0.36
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SRC P12931 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 0.92 HDAC4 (0.73) HDAC4MEN1KMT2APGRGAA
Tasquinimod SCHEMBL4476895 0.88 HDAC4 (1.00) HDAC4MEN1KMT2APGRTP53
Tasquinimod SCHEMBL29362522 0.88 HDAC4 (1.00) HDAC4MEN1KMT2APGRTP53
SCHEMBL18416042 0.87 HDAC4 (0.87) HDAC4MEN1KMT2APGRTP53
SCHEMBL19398184 0.87 HDAC4 (0.79) HDAC4MEN1KMT2APGRTP53
SCHEMBL7615226 0.86 HDAC4 (0.58) HDAC4MEN1KMT2APGRPOLB
SCHEMBL6994317 0.86 HDAC4 (0.77) HDAC4MEN1KMT2APGRNPSR1
SCHEMBL7003632 0.85 HDAC4 (0.68) HDAC4MEN1KMT2APGRGAA
SCHEMBL7002185 0.85 HDAC4 (0.76) HDAC4MEN1KMT2APGRGAA
SCHEMBL8144309 0.85 HDAC4 (0.58) HDAC4MEN1KMT2APGRPOLB

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.