Sugi Predict

Sugi Predict / Compounds / SCHEMBL18529239

SCHEMBL18529239

SCHEMBL18529239

CCOC(=O)c1[nH]c(-c2cccc(OC)c2)cc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GCGR P47871 3/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ TUBB4A P04350 2/20 0.46
▸ TUBB P07437 2/20 0.46
▸ TUBA3C P0DPH7 2/20 0.46
▸ TUBA1B P68363 2/20 0.46
▸ TUBA4A P68366 2/20 0.46
▸ TUBB4B P68371 2/20 0.46
▸ TUBB3 Q13509 2/20 0.46
▸ TUBB2A Q13885 2/20 0.46
▸ TUBB8 Q3ZCM7 2/20 0.46
▸ TUBA3E Q6PEY2 2/20 0.46
▸ TUBA1A Q71U36 2/20 0.46
▸ TUBA1C Q9BQE3 2/20 0.46
▸ TUBB6 Q9BUF5 2/20 0.46
▸ TUBB2B Q9BVA1 2/20 0.46
▸ TUBB1 Q9H4B7 2/20 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
SCHEMBL18529245 0.83 TUBB4A (0.55) CDC7KDM4EALDH1A1GCGRMAPK14
SCHEMBL1567586 0.81 PTGER2 (0.53) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL18529232 0.79 HDAC3 (0.47) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL3344995 0.78 TUBB4A (0.53) KDM4EALDH1A1GCGRMAPK14TUBB4A
SCHEMBL18529238 0.75 KDM4E (0.47) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL7497896 0.74 ALDH1A1 (0.57) CDC7KDM4EALDH1A1TUBB4ATUBB
SCHEMBL12971261 0.73 ALDH1A1 (0.50) CDC7KDM4EALDH1A1GCGRMAPK14
SCHEMBL30741032 0.73 ALDH1A1 (0.56) CDC7KDM4EALDH1A1GCGRTUBB4A
SCHEMBL18529236 0.72 GCGR (0.55) CDC7ALDH1A1GCGRMAPK14DBF4
SCHEMBL18529249 0.72 KMT2A (0.47) KDM4EALDH1A1MAPTNPC1HPGD

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-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

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 CDC7 676/4885KDM4E 3517/4885ALDH1A1 3254/4885

“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.