SCHEMBL2390627

SCHEMBL2390627

Clc1ccnc2c1ccc1ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
KDM4E B2RXH2 8/20 0.54
MAPT P10636 7/20 0.54
HSP90AA1 P07900 4/20 0.53
METAP2 P50579 2/20 0.53
METAP1 P53582 2/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
HTT P42858 5/20 0.51
CYP3A4 P08684 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MMP14 P50281 3/20 0.51
ALOX15 P16050 3/20 0.51
ALOX12 P18054 3/20 0.51
TP53 P04637 2/20 0.51
SLC6A2 P23975 2/20 0.51
OPRK1 P41145 2/20 0.51

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
SCHEMBL1149641 0.81 L3MBTL1 (0.61) LMNAKDM4EMAPTHSP90AA1METAP2
SCHEMBL15255189 0.80 KDM4E (0.48) LMNAKDM4EMAPTHSP90AA1METAP2
SCHEMBL1149989 0.78 CCR1 (0.61) LMNAKDM4EMAPTHSP90AA1ALDH1A1
SCHEMBL28341049 0.78 LMNA (0.56) LMNAKDM4EMAPTHSP90AA1METAP2
SCHEMBL31301051 0.78 LMNA (0.56) LMNAKDM4EMAPTHSP90AA1ALDH1A1
SCHEMBL169672 0.78 LMNA (0.56) LMNAKDM4EMAPTHSP90AA1METAP2
SCHEMBL3350823 0.78 NCF1 (0.60) LMNAKDM4EMAPTHSP90AA1ALDH1A1
SCHEMBL29503951 0.77 KDM4E (0.50) LMNAKDM4EMAPTHSP90AA1METAP2
SCHEMBL440421 0.77 KDM4E (0.50) LMNAKDM4EMAPTHSP90AA1METAP2
SCHEMBL201545 0.76 MAPT (0.56) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147015-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2023-05-11 US disclosed
US-20230147015-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2023-05-11 US disclosed
WO-2021137565-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2021-07-08 WO disclosed
US-8017599-B2 Sequence selective pyrrole and imidazole polyamide metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2011-09-13 US disclosed
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 US disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed
US-4013691-A PROCESS FOR THE SIMULTANEOUS MANUFACTURE OF EPSILON-CAPROLACTONES AND CARBOXYLIC ACIDS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-03-22 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-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF LMNA 3446/4885KDM4E 3596/4885MAPT 1299/4885
US-20230147015-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, NOTUM, CYP4F11 LMNA 2243/4885KDM4E 3018/4885MAPT 1219/4885

“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.