SCHEMBL18529232

SCHEMBL18529232

CCOC(=O)c1[nH]c(-c2ccc(OC)cc2)cc1-c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
PTGER2 P43116 2/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL1567586 0.91 PTGER2 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18529249 0.83 KMT2A (0.47) PTGER2MAPTKDM4EALDH1A1NPC1
SCHEMBL3344995 0.81 TUBB4A (0.53) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL3435088 0.79 KDM4E (0.51) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL2748270 0.79 HPGD (0.56) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL18529239 0.79 CDC7 (0.52) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL12971261 0.78 ALDH1A1 (0.50) HDAC3HDAC1HDAC2PTGER2MAPT
SCHEMBL18529244 0.78 MAPT (0.53) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL689403 0.78 PTGER2 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10397352 0.76 MAPK14 (0.61) PTGER2MAPTKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251425-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2018-09-06 US claimed
EP-3337323-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF University Of Mysore (IN) 2018-06-27 EP claimed
WO-2017029684-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2017-02-23 WO claimed
US-20180251425-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2018-09-06 US disclosed
EP-3337323-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF University Of Mysore (IN) 2018-06-27 EP disclosed
WO-2017029684-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2017-02-23 WO disclosed
WO-2017029684-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF UNIVERSITY OF MYSORE (IN) 2017-02-23 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-20180251425-A1 2,3,5 TRISUBSTITUTED PYRROLE DERIVATIVES AS TOPOISOMERASE INHIBITORS AND THERAPEUTIC USES THEREOF TOP1, TOP2A, TOP2B HDAC3 52/4885HDAC1 261/4885HDAC2 186/4885

“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.