SCHEMBL2816362

SCHEMBL2816362

CCOC(=O)CNC(=O)Nc1nc2ccccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 4/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.49
PPID Q08752 1/20 0.49
PDE11A Q9HCR9 1/20 0.47
PDE10A Q9Y233 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.47
HPGD P15428 1/20 0.46
IRAK1 P51617 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL2882571 0.88 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL2816742 0.88 NPC1 (0.55) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL2818559 0.86 ALDH1A1 (0.56) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL2822277 0.83 RAB9A (0.66) NPC1RAB9AKDM4EALDH1A1HSD17B10
Potassium Ion SCHEMBL2817204 0.81 RAB9A (0.59) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL6000128 0.77 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL12058609 0.76 RAB9A (0.63) NPC1RAB9AKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6000120 0.76 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL3771751 0.75 RAB9A (0.74) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL32688299 0.74 KDM4E (0.57) NPC1RAB9AKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012481-B2 Benzoarylureido compounds, and composition for prevention or treatment of neurodegenerative brain disease containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-21 US disclosed
US-9012481-B2 Benzoarylureido compounds, and composition for prevention or treatment of neurodegenerative brain disease containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-21 US disclosed
US-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 US disclosed
US-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 US disclosed
WO-2010077068-A2 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-08 WO 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-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME HTT, PSEN1, PYGB NPC1 42/4885RAB9A 3642/4885KDM4E 3915/4885

“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.