SCHEMBL259395

SCHEMBL259395

Cc1cccc(NC(=O)C2CCCCN2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.66
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
ULK1 O75385 1/20 0.54
KHK P50053 1/20 0.53
PSMB8 P28062 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AAK1 Q2M2I8 1/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL10326684 0.96 NPSR1 (0.63) NPSR1NPC1RAB9AULK1KHK
SCHEMBL17676960 0.96 NPSR1 (0.63) NPSR1NPC1RAB9AULK1KHK
SCHEMBL29697282 0.96 NPSR1 (0.63) NPSR1NPC1RAB9AULK1KHK
SCHEMBL31122583 0.96 NPSR1 (0.63) NPSR1NPC1RAB9AULK1KHK
SCHEMBL12295117 0.96 NPSR1 (0.63) NPSR1NPC1RAB9AULK1KHK
SCHEMBL18591277 0.92 NPSR1 (0.64) NPSR1NPC1RAB9AKHKALDH1A1
SCHEMBL516052 0.83 HPGD (0.58) RAB9AULK1KHKPSMB8LMNA
SCHEMBL13708499 0.83 HPGD (0.58) RAB9AULK1KHKPSMB8LMNA
SCHEMBL31148156 0.83 ULK1 (0.53) NPSR1NPC1RAB9AULK1KHK
SCHEMBL10327137 0.81 LMNA (0.59) NPSR1ULK1KHKPSMB8LMNA

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 11 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
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP 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-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-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 NPSR1 4618/4885NPC1 1963/4885RAB9A 613/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A NPSR1 4618/4885NPC1 1963/4885RAB9A 613/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPSR1 4618/4885NPC1 1963/4885RAB9A 613/4885

“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.