SCHEMBL13202035

SCHEMBL13202035

O=C(NCCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
RAB9A P51151 11/20 0.63
NPC1 O15118 10/20 0.63
NR1H4 Q96RI1 1/20 0.62
OPRM1 P35372 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KLF5 Q13887 1/20 0.60

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
SCHEMBL3454460 0.91 HDAC2 (0.80) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL11641490 0.90 NR1H4 (0.59) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL4153362 0.88 NPC1 (0.69) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL2412199 0.88 HDAC1 (0.75) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL5969148 0.84 ESRRG (0.60) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL14894197 0.84 NR1H4 (0.85) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL6410116 0.84 SMN1; SMN2 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL18759257 0.83 HDAC3 (0.53) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL17946070 0.83 HDAC3 (0.62) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL9039897 0.82 HDAC3 (0.59) HDAC2HDAC8HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767777-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-7767777-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
EP-1924590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-14 EP disclosed
US-20090048415-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-02-19 US disclosed
US-20090048415-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-02-19 US disclosed
WO-2007031185-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2007-03-22 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-20090048415-A1 METAL COMPLEXES SOD1, IK, AP1M1 HDAC2 2802/4885HDAC8 4564/4885HDAC6 2411/4885

“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.