SCHEMBL2791682

SCHEMBL2791682

CCOc1ccc2nc(NC(=S)NCC(=O)O)sc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.72
ALDH1A1 P00352 4/20 0.72
HPGD P15428 3/20 0.72
SMN1; SMN2 Q16637 8/20 0.65
TP53 P04637 4/20 0.65
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
APOBEC3G Q9HC16 1/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 2/20 0.64
USP2 O75604 1/20 0.64
MAPK1 P28482 3/20 0.63
HTT P42858 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
SCHEMBL2790995 0.89 MAPT (0.67) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL9988448 0.89 MAPT (0.72) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL2791137 0.89 NPC1 (0.65) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL8891868 0.82 MAPT (0.81) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL15376318 0.81 MAPT (0.78) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL9988447 0.81 NPC1 (0.61) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL2792445 0.81 DYRK1A (0.61) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL6229213 0.80 SMN1; SMN2 (0.82) MAPTALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL2247099 0.79 MAPT (1.00) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL14202814 0.78 SMN1; SMN2 (0.78) MAPTALDH1A1SMN1; SMN2TP53NPC1

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
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 MAPT 8/4885ALDH1A1 1738/4885HPGD 481/4885

“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.