SCHEMBL5116843

SCHEMBL5116843

Cc1c(N)csc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
PKM P14618 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
TSHR P16473 3/20 0.47
ACHE P22303 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 5/20 0.46
HDAC2 Q92769 1/20 0.45
PDE4D Q08499 1/20 0.43

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
SCHEMBL49097 0.74 AURKA (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20557899 0.74 TSHR (0.51) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30469271 0.74 TSHR (0.51) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5117872 0.73 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6738366 0.73 TSHR (0.76) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL16435341 0.73 TSHR (0.58) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL426369 0.72 MAPT (0.66) MAPTRAB9AALDH1A1MAPK1MGAM
SCHEMBL8124240 0.72 MAPT (0.66) MAPTRAB9AALDH1A1MAPK1MGAM
SCHEMBL5114023 0.71 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11392461 0.71 TSHR (0.73) 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.