SCHEMBL20179119

SCHEMBL20179119

Cc1ccc(CCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.68
HDAC6 Q9UBN7 8/20 0.68
HDAC3 O15379 7/20 0.68
HDAC2 Q92769 7/20 0.68
HDAC10 Q969S8 7/20 0.68
HDAC11 Q96DB2 7/20 0.68
HDAC8 Q9BY41 7/20 0.68
HDAC4 P56524 6/20 0.68
HDAC7 Q8WUI4 6/20 0.68
HDAC9 Q9UKV0 6/20 0.68
HDAC5 Q9UQL6 6/20 0.68
NCOR2 Q9Y618 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 2/20 0.60
RAB9A P51151 1/20 0.56
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL12345556 0.85 MEN1 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL20163289 0.83 HDAC3 (0.68) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL13776958 0.83 HDAC2 (0.59) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL763015 0.82 HDAC1 (0.67) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL16542117 0.82 SMN1; SMN2 (0.83) SMN1; SMN2GAARAB9APOLBMEN1
SCHEMBL12938972 0.82 KMT2A (0.63) HDAC6HDAC10HDAC8SMN1; SMN2GAA
SCHEMBL1471759 0.81 MAPT (0.77) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL13389060 0.81 MAPT (0.77) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL14490981 0.81 CCR5 (0.63) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL15523138 0.81 HDAC1 (0.64) HDAC1HDAC6HDAC3HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SPINT2, SERPINB1 HDAC1 643/4885HDAC6 365/4885HDAC3 1104/4885

“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.