SCHEMBL259035

SCHEMBL259035

O=C(Nc1c(C(=O)O)sc2ncccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
LIMK1 P53667 1/20 0.46
ADORA2A P29274 1/20 0.45
KDR P35968 2/20 0.44
ADORA3 P0DMS8 2/20 0.43
TP53 P04637 1/20 0.43
SCD O00767 1/20 0.43
PABPC1 P11940 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL259346 0.90 LIMK1 (0.57) ALDH1A1KDM4ENPC1RAB9AIKBKB
SCHEMBL259246 0.84 HTT (0.58) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL7539997 0.83 KDM4E (0.50) ALDH1A1KDM4EIKBKBCHUKLIMK1
SCHEMBL9541072 0.83 KDM4E (0.50) ALDH1A1KDM4EIKBKBCHUKLIMK1
SCHEMBL27407297 0.81 KDM4E (0.51) ALDH1A1KDM4EIKBKBCHUKLIMK1
SCHEMBL2896096 0.80 KDM4E (0.52) ALDH1A1KDM4EIKBKBCHUKLIMK1
SCHEMBL30794794 0.77 KMT2A (0.50) KDM4ENPC1RAB9ATP53
SCHEMBL4102376 0.77 KDM4E (0.50) ALDH1A1KDM4EIKBKBCHUKLIMK1
SCHEMBL27419975 0.76 KDM4E (0.48) ALDH1A1KDM4ENPC1RAB9AIKBKB
SCHEMBL10405198 0.73 KDM4E (0.57) ALDH1A1KDM4EIKBKBCHUKLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885KDM4E 2196/4885NPC1 1963/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885KDM4E 2196/4885NPC1 1963/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885KDM4E 2196/4885NPC1 1963/4885

“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.