SCHEMBL5583239

SCHEMBL5583239

COc1ccc(-c2ccnc(C(S)c3ccc4oc(C(=O)O)cc4c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.44
PIM2 Q9P1W9 4/20 0.44
PTPN22 Q9Y2R2 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAOA P21397 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PTPN1 P18031 2/20 0.40
PTGER4 P35408 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL210525 0.80 CHEK1 (0.54) LMNAMAPTMEN1NPC1KMT2A
SCHEMBL5583241 0.76 ALDH1A1 (0.50) PIM1PIM2PTPN22LMNATP53
SCHEMBL11464783 0.74 PTPN22 (0.57) PIM1PIM2PTPN22LMNATP53
SCHEMBL3560549 0.72 TAS1R3 (0.41) PIM1LMNATP53THRATHRB
SCHEMBL335319 0.72 KDM4E (0.66) PIM1LMNATP53THRATHRB
SCHEMBL29527237 0.72 KDM4E (0.66) PIM1LMNATP53THRATHRB
Hydrochloric Acid SCHEMBL11498190 0.70 KDM4E (0.64) PIM1LMNATP53THRATHRB
Methylene Chloride SCHEMBL28849518 0.68 LMNA (0.62) PIM1LMNATP53THRATHRB
SCHEMBL12869441 0.67 PIM1 (0.58) PIM1PIM2LMNATP53THRA
SCHEMBL4901196 0.65 MAPT (0.71) LMNAMAPTMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2009/4885PIM2 2680/4885PTPN22 3421/4885

“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.