SCHEMBL9988447

SCHEMBL9988447

CCOC(=O)CNC(=S)Nc1nc2ccc(OC)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.61
RAB9A P51151 8/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 1/20 0.61
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
DYRK1A Q13627 1/20 0.60
MAPT P10636 4/20 0.59
KDM4E B2RXH2 1/20 0.59
CSNK1D P48730 5/20 0.59
CASP2 P42575 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 2/20 0.56
SCD O00767 2/20 0.56

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
SCHEMBL2790995 0.92 MAPT (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2792432 0.89 ABL1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2793238 0.88 PTPN1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2791137 0.87 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2790352 0.86 PTPN1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2793299 0.86 PTPN1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1DYRK1A
SCHEMBL2792239 0.84 MAPK1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL2817268 0.84 MAPK1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL2791682 0.81 MAPT (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9988019 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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.