SCHEMBL18529249

SCHEMBL18529249

CCOC(=O)c1[nH]c(-c2ccc(OC)cc2)cc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 6/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 4/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KCNQ2 O43526 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL18529232 0.83 HDAC3 (0.47) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL1567586 0.83 PTGER2 (0.53) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL3435088 0.77 KDM4E (0.51) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL2748270 0.77 HPGD (0.56) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL3344995 0.73 TUBB4A (0.53) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL2749321 0.73 ALDH1A1 (0.50) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL18529239 0.72 CDC7 (0.52) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL10397352 0.71 MAPK14 (0.61) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL13587119 0.71 KDM4E (0.48) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL12971261 0.71 ALDH1A1 (0.50) KMT2AMAPTMEN1KDM4EALDH1A1

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 KMT2A 3083/4885MAPT 4744/4885MEN1 4132/4885

“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.