SCHEMBL23252178

SCHEMBL23252178

CCN(CC)Cc1ccc(N/C(=C2\C(=O)Nc3ccc(C(=O)OC)cc32)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
ACHE P22303 6/20 0.41
BCHE P06276 5/20 0.41
HIF1A Q16665 2/20 0.40
PDPK1 O15530 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
AURKA O14965 1/20 0.39
RAF1 P04049 1/20 0.39
LMNA P02545 1/20 0.39
SENP1 Q9P0U3 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37

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
SCHEMBL2570750 0.93 KDM4E (0.49) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL2570748 0.93 KDM4E (0.49) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL17976469 0.91 KDM4E (0.41) KDM4EALDH1A1MAPTPDPK1PDGFRB
SCHEMBL7981209 0.91 PDPK1 (0.41) KDM4EALDH1A1MAPTHIF1APDPK1
SCHEMBL8288418 0.91 ACHE (0.40) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL4612637 0.91 ACHE (0.40) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL480624 0.90 KDM4E (0.51) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL480625 0.90 KDM4E (0.51) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL7980713 0.90 KDM4E (0.45) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL17976127 0.90 PDPK1 (0.42) KDM4EALDH1A1MAPTPDPK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317107-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-14 US disclosed
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-20 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 (2 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-20210317107-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE MELK, HIPK1, HIPK3 KDM4E 978/4885ALDH1A1 3459/4885MAPT 2523/4885
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase MELK, HIPK1, HIPK3 KDM4E 1151/4885ALDH1A1 2911/4885MAPT 3092/4885

“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.