SCHEMBL259464

SCHEMBL259464

Cc1cccc(OCCN(C)c2nccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PPARG P37231 1/20 0.49
KMT2A Q03164 1/20 0.45
F2 P00734 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FDPS P14324 1/20 0.40
MAPT P10636 2/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL23074709 0.75 FDPS (0.57) KMT2AF2SMN1; SMN2MAPK1DRD2
SCHEMBL8360713 0.75 CHRNB2 (0.67) LMNADRD2DRD4CHRNB2CHRNA4
SCHEMBL11676661 0.75 F2 (0.54) KMT2AF2MAPK1DRD2DRD4
SCHEMBL8199403 0.74 PPARG (0.47) LMNAPPARGTSHRSMN1; SMN2HSD17B10
SCHEMBL259508 0.72 LMNA (0.63) LMNAKMT2AF2SMN1; SMN2MAPK1
SCHEMBL29381067 0.71 DRD2 (0.62) LMNAKMT2AF2SMN1; SMN2MAPK1
SCHEMBL27465 0.71 DRD2 (0.62) LMNAKMT2AF2SMN1; SMN2MAPK1
SCHEMBL11983542 0.70 KDM4E (0.57) KMT2ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8719505 0.70 ALDH1A1 (0.50) LMNAPPARGKMT2ASMN1; SMN2MAPK1
SCHEMBL22074347 0.70 TP53 (0.50) LMNAKMT2ASMN1; SMN2MAPTKDM4E

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 4331/4885PPARG 3816/4885KMT2A 1722/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A LMNA 4331/4885PPARG 3816/4885KMT2A 1722/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A LMNA 4331/4885PPARG 3816/4885KMT2A 1722/4885

“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.