SCHEMBL5539829

SCHEMBL5539829

COC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ncc(C)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.70
▸ KDM4E B2RXH2 1/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ CASP3 P42574 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ SENP8 Q96LD8 1/20 0.70
▸ SENP7 Q9BQF6 1/20 0.70
▸ SENP6 Q9GZR1 1/20 0.70
▸ F10 P00742 15/20 0.57
▸ PRSS12 P56730 2/20 0.57

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
SCHEMBL5534479 0.91 KDM4E (0.73) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL16062688 0.84 NPC1 (1.00) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL2725087 0.79 MAPT (0.69) MAPTSMN1; SMN2F10PRSS12
SCHEMBL2724943 0.77 PRSS12 (0.73) MAPTPRSS12
SCHEMBL2723362 0.75 MAPT (0.57) MAPTF10PRSS12
SCHEMBL5541503 0.75 MAPT (0.62) MAPTF10PRSS12
SCHEMBL31665327 0.74 RAB9A (0.58) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL2724682 0.74 PRSS12 (0.82) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL5534388 0.74 GCK (0.54) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL15295703 0.73 PRSS12 (0.71) MAPTF10PRSS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 — — US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 — — US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 — — 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 MAPT 1060/4885KDM4E 3685/4885MEN1 3294/4885

“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.

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