SCHEMBL22229889

SCHEMBL22229889

CNC(=O)c1nc(N2CCCCC2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
PTGS2 P35354 1/20 0.36
THRB P10828 1/20 0.36
PIK3CG P48736 3/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL3352452 0.69 PLK1 (0.41) MAPTALDH1A1LMNADPP4NPSR1
SCHEMBL3275993 0.69 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL24183578 0.68 CCR4 (0.39) ALDH1A1LMNAMAPK1L3MBTL1MEN1
SCHEMBL13285610 0.66 DPP4 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL22229891 0.66 CNR1 (0.43) POLBLMNAHTT
SCHEMBL12321703 0.65 PIK3CG (0.41) NPC1ALDH1A1PIK3CG
SCHEMBL24408849 0.65 PLK1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL12500185 0.65 SMPD1 (0.37) MAPTPOLBLMNATHRBL3MBTL1
SCHEMBL1733656 0.64 KDM4E (0.71) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL1733509 0.64 KDM4E (0.71) NPC1RAB9APOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231569-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-07-23 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-20200231569-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF XDH, H1-0, RXFP1 NPC1 856/4885RAB9A 1254/4885MAPT 59/4885

“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.