SCHEMBL259508

SCHEMBL259508

Cc1cccc(OCCNc2nccs2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
F2 P00734 1/20 0.61
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13246345 0.83 RAB9A (0.52) LMNADRD2DRD4DRD3SMN1; SMN2
SCHEMBL16314657 0.74 SMN1; SMN2 (0.47) LMNASMN1; SMN2KDM4ENPC1HPGD
SCHEMBL13210757 0.74 ALDH1A1 (0.49) LMNAMAPTSMN1; SMN2GAAMAPK1
SCHEMBL23067879 0.74 DRD2 (0.84) F2DRD2DRD4DRD3SMN1; SMN2
SCHEMBL31663663 0.74 DRD2 (0.84) F2DRD2DRD4DRD3SMN1; SMN2
SCHEMBL16673625 0.74 F2 (0.76) F2DRD2DRD4DRD3MAPT
SCHEMBL30854977 0.73 ROCK2 (0.49) LMNASMN1; SMN2GAAKDM4ENPC1
SCHEMBL13574506 0.73 GAA (0.44) LMNAMAPTSMN1; SMN2GAAKDM4E
SCHEMBL15829982 0.73 DRD2 (0.66) F2DRD2DRD4DRD3MAPT
SCHEMBL259464 0.72 LMNA (0.50) LMNAF2DRD2DRD4DRD3

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 LMNA 4331/4885F2 4693/4885DRD2 3984/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A LMNA 4331/4885F2 4693/4885DRD2 3984/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A LMNA 4331/4885F2 4693/4885DRD2 3984/4885

“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.