SCHEMBL2095463

SCHEMBL2095463

CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CCCC3)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
KMT2A Q03164 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 7/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
PDE4B Q07343 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL2963827 0.81 LMNA (0.46) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL2023298 0.81 ALDH1A1 (0.45) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL2094243 0.81 L3MBTL1 (0.45) KDM4EKMT2ATDP1TSHRALDH1A1
SCHEMBL2093771 0.81 L3MBTL1 (0.43) KDM4EKMT2ATDP1TSHRALDH1A1
SCHEMBL2093691 0.81 LMNA (0.48) KDM4EKMT2ATDP1TSHRALDH1A1
SCHEMBL2093489 0.81 MAP4K4 (0.43)
SCHEMBL2962023 0.80 TDP1 (0.46) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL2095456 0.78 NPC1 (0.45) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL11712064 0.78 SMN1; SMN2 (0.56) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL18312803 0.78 MAPT (0.49) NPC1RAB9AKDM4ERXFP1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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 (1 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 NPC1 380/4885RAB9A 1279/4885KDM4E 4269/4885

“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.