SCHEMBL2816736

SCHEMBL2816736

CCOC(=O)CCNC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.72
NPC1 O15118 9/20 0.72
SMN1; SMN2 Q16637 5/20 0.69
MAPK1 P28482 2/20 0.69
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
STAT1 P42224 1/20 0.55
ADORA1 P30542 1/20 0.53
DYRK1A Q13627 1/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL2790525 0.93 NPC1 (0.73) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL8021422 0.89 MAPK1 (0.73) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL2789721 0.88 MAPK1 (0.72) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL6228337 0.84 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL2791120 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6229810 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL1842324 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL8023816 0.81 HDAC6 (0.63) RAB9ANPC1SMN1; SMN2MAPK1MAPT
Potassium Ion SCHEMBL2820696 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL31041 0.81 NPC1 (0.93) RAB9ANPC1SMN1; SMN2MAPK1MAPT

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 RAB9A 3642/4885NPC1 42/4885SMN1; SMN2 186/4885

“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.