SCHEMBL20163302

SCHEMBL20163302

CCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
PDE4A P27815 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MDH1 P40925 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL18256305 0.86 MDH1 (0.57) SMN1; SMN2KDM4EMDH1MEN1KMT2A
SCHEMBL18256364 0.86 HDAC10 (0.70) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12869137 0.84 MDH1 (0.71) SMN1; SMN2MDH1MEN1KMT2AHPGD
SCHEMBL20163289 0.84 HDAC3 (0.68) SMN1; SMN2HDAC10HDAC6HPGDNPC1
SCHEMBL20179233 0.83 MEN1 (0.68) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL15581502 0.80 HPGD (0.60) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12688128 0.80 TDP1 (0.62) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL18248630 0.79 HDAC3 (0.68) HDAC10HDAC6HPGD
Bufexamac SCHEMBL25215 0.78 KDM4E (1.00) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
Bufexamac SCHEMBL5076113 0.78 KDM4E (1.00) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A

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 SMN1; SMN2 4586/4885KDM4E 3185/4885CYP1A2 4651/4885

“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.