SCHEMBL4166956

SCHEMBL4166956

Oc1ccnc2c(Br)csc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
TP53 P04637 3/20 0.38
HSP90AA1 P07900 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
UTS2R Q9UKP6 1/20 0.32
PRKCI P41743 4/20 0.31
TSHR P16473 2/20 0.31
MMP2 P08253 1/20 0.31
CHRM1 P11229 1/20 0.31
COMT P21964 1/20 0.31
ADRA1A P35348 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL1330351 0.80 PDPK1 (0.44) KDM4EHTTUTS2RPRKCIMAPT
SCHEMBL4159284 0.78 KDM4E (0.38) KDM4ETP53HSP90AA1HTTSMN1; SMN2
SCHEMBL14830510 0.76 EPHB4 (0.32) KDM4ETP53HSP90AA1HTTSMN1; SMN2
SCHEMBL16515634 0.74 KDM4E (0.45) KDM4ETP53SMN1; SMN2KMT2ATDP1
SCHEMBL31337031 0.71 MAPK1 (0.33) GPR35NPC1
SCHEMBL23104538 0.71 PDPK1 (0.43) UTS2RPRKCIGPR35NPC1CYP1A2
SCHEMBL30401622 0.68 GPR35 (0.31) GPR35
SCHEMBL26970098 0.68 KDM4E (0.34) KDM4ETP53HSP90AA1HTTSMN1; SMN2
SCHEMBL25169268 0.68 GPR35 (0.31) GPR35
SCHEMBL3234401 0.67 TSHR (0.50) KDM4ETP53HSP90AA1HTTSMN1; SMN2

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 4 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
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP 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
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 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 (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 3591/4885TP53 817/4885HSP90AA1 2261/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 KDM4E 3760/4885TP53 898/4885HSP90AA1 2289/4885

“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.