SCHEMBL5117872

SCHEMBL5117872

COC(=O)CNc1csc(-c2cccc([N+](=O)[O-])c2)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 10/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
SLC6A4 P31645 1/20 0.42
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5120317 0.81 NPC1 (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5118668 0.75 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5116843 0.73 MAPT (0.52) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3288477 0.73 MEN1 (0.65) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
Hydrochloric Acid SCHEMBL8172216 0.72 MEN1 (0.64) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL2421954 0.70 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1MAPK1GAA
SCHEMBL17847051 0.70 POLB (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5949858 0.69 SLC6A4 (0.54) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5122274 0.68 NPC1 (0.42) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5126999 0.68 MEN1 (0.39) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR MAPT 3063/4885RAB9A 1436/4885SMN1; SMN2 4322/4885

“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.