SCHEMBL4159284

SCHEMBL4159284

Oc1ccnc2c(Cl)csc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 5/20 0.38
HSP90AA1 P07900 4/20 0.38
METAP2 P50579 3/20 0.38
METAP1 P53582 3/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TDP1 Q9NUW8 5/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MMP14 P50281 3/20 0.37
OPRK1 P41145 3/20 0.37
TP53 P04637 3/20 0.37
ALOX12 P18054 3/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
SLC6A2 P23975 2/20 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
SCHEMBL28380296 0.82 NR4A2 (0.33) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL4166956 0.78 KDM4E (0.38) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL1330351 0.78 PDPK1 (0.44) KDM4EMAPTHTTALDH1A1SLC6A2
SCHEMBL22858221 0.77 KDM4E (0.38) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL23599444 0.72 DYRK3 (0.34) MAPK1PKM
SCHEMBL24322947 0.69 CYP17A1 (0.35) CYP17A1COMT
SCHEMBL25168095 0.69
SCHEMBL30691793 0.69 NQO2 (0.33) HPGDTSHR
SCHEMBL1328750 0.69 PDPK1 (0.43) KDM4EMAPTALDH1A1OPRK1CYP1A2
SCHEMBL30184527 0.69 PDPK1 (0.43) KDM4EMAPTALDH1A1OPRK1CYP1A2

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-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 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-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NR3C1, NR3C2, MC2R KDM4E 3591/4885MAPT 272/4885LMNA 2600/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 KDM4E 3760/4885MAPT 252/4885LMNA 2693/4885

“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.