SCHEMBL259381

SCHEMBL259381

Cc1cccc(NC(=O)C2CCCNC2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.72
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
F10 P00742 1/20 0.56
ULK1 O75385 1/20 0.55
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.53
ALOX15 P16050 1/20 0.53
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.51
USP2 O75604 1/20 0.51
KHK P50053 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50

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
SCHEMBL9301022 0.93 NPSR1 (0.69) NPSR1NPC1RAB9AF10GAA
SCHEMBL259383 0.85 NPSR1 (0.78) NPSR1NPC1RAB9AGAALMNA
SCHEMBL12764072 0.84 NPSR1 (0.94) NPSR1NPC1RAB9AGAATSHR
SCHEMBL13920562 0.84 NPSR1 (1.00) NPSR1NPC1RAB9AGAALMNA
SCHEMBL2452221 0.84 F10 (0.56) NPSR1NPC1RAB9AF10ULK1
SCHEMBL2449231 0.84 F10 (0.56) NPSR1NPC1RAB9AF10ULK1
SCHEMBL24016844 0.84 RXFP1 (0.59) NPSR1F10ULK1ALOX15ALDH1A1
SCHEMBL2449555 0.84 F10 (0.64) NPC1RAB9AF10ULK1TSHR
SCHEMBL10076207 0.84 SMN1; SMN2 (0.74) NPSR1F10ULK1ALOX15ALDH1A1
SCHEMBL2448229 0.83 ULK1 (0.56) NPSR1RAB9AULK1ALOX15LMNA

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-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP 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-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-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.