SCHEMBL259471

SCHEMBL259471

COC(=O)c1nccnc1NC(=O)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
TP53 P04637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
ADORA3 P0DMS8 1/20 0.55
TSHR P16473 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
BRD4 O60885 1/20 0.54

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
SCHEMBL13318532 0.84 KMT2A (0.59) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL14344520 0.84 HTT (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL259618 0.84 MEN1 (0.67) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL278102 0.81 KMT2A (0.56) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL12112026 0.79 MAPT (0.62) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL259504 0.77 MEN1 (0.68) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL14237548 0.76 F2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3618498 0.76 KMT2A (0.53) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL3240438 0.76 NPC1 (0.56) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL7369720 0.75 ELANE (0.49) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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 6 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-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-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 SMN1; SMN2 4764/4885NPC1 1963/4885RAB9A 613/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A SMN1; SMN2 4764/4885NPC1 1963/4885RAB9A 613/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A SMN1; SMN2 4764/4885NPC1 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.