SCHEMBL9988019

SCHEMBL9988019

CCOC(=O)CNC(=O)Nc1nc2ccc(OCC)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.67
RAB9A P51151 10/20 0.67
SMN1; SMN2 Q16637 9/20 0.67
MAPT P10636 9/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
TDP1 Q9NUW8 3/20 0.67
POLB P06746 2/20 0.67
USP2 O75604 2/20 0.67
HSD17B10 Q99714 3/20 0.64
TP53 P04637 4/20 0.63
MAPK1 P28482 2/20 0.63
ALOX15 P16050 2/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
GAA P10253 2/20 0.63
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63

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
SCHEMBL2792432 0.91 ABL1 (0.64) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2790995 0.89 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9988448 0.89 MAPT (0.72) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2791913 0.86 PTPN1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1CASP3
SCHEMBL2791688 0.86 PTPN1 (0.69) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2789721 0.83 MAPK1 (0.72) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2815755 0.83 MMP3 (0.52) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL27093200 0.81 MAPT (0.82) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL15376318 0.81 MAPT (0.78) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9988447 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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 4 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

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 3642/4885SMN1; 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.