SCHEMBL1798542

SCHEMBL1798542

N#Cc1cc(Cl)ccc1NC(=O)COCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 1/20 0.45
PPARG P37231 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL25658467 0.82 NPC1 (0.66) KDM4ENPC1RAB9AL3MBTL1GAA
SCHEMBL4293229 0.81 KDM4E (0.48) KDM4EL3MBTL1GAATSHRHPGD
SCHEMBL1016756 0.79 ALDH1A1 (0.56) KDM4EGAATSHRHPGDUSP2
SCHEMBL7937682 0.79 ALDH1A1 (0.48) KDM4EGAATSHRHPGDUSP2
SCHEMBL1796175 0.77 SERPINE1 (0.75) NPC1
SCHEMBL1015370 0.76 KDM4E (0.60) KDM4EGAATSHRHPGDUSP2
SCHEMBL17434129 0.76 IDO1 (0.52) KDM4EL3MBTL1GAAHPGDALDH1A1
SCHEMBL404789 0.75 HPGD (0.47) KDM4EL3MBTL1GAAHPGDALDH1A1
SCHEMBL6177644 0.74 KDM4E (0.57) KDM4ENPC1RAB9AL3MBTL1GAA
SCHEMBL1801205 0.74 KDM4E (0.60) KDM4ETSHRHPGDALDH1A1LMNA

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-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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 (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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 KDM4E 4309/4885NPC1 1319/4885RAB9A 2391/4885

“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.