SCHEMBL16450884

SCHEMBL16450884

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nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ KIF11 P52732 1/20 0.30

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
SCHEMBL16450873 1.00 MAPK1 (0.44) MAPK1GRNSORT1HRH2HRH1
SCHEMBL30173349 0.82 MAPK1 (0.44) MAPK1GRNSORT1HRH2HRH1
SCHEMBL561163 0.82 MAPK1 (0.44) MAPK1GRNSORT1SLC7A5NOS3
SCHEMBL1414721 0.82 MAPK1 (0.44) MAPK1GRNSORT1HRH2HRH1
SCHEMBL1576869 0.82 MAPK1 (0.44) MAPK1GRNSORT1HRH2HRH1
SCHEMBL1644294 0.82 MAPK1 (0.44) MAPK1GRNSORT1SLC7A5NOS3
SCHEMBL241174 0.82 MAPK1 (0.44) MAPK1GRNSORT1SLC7A5NOS3
Hydrochloric Acid SCHEMBL919391 0.80 MAPK1 (0.43) MAPK1GRNSORT1SLC7A5NOS3
SCHEMBL30589488 0.80 MAPK1 (0.43) MAPK1GRNSORT1SLC7A5NOS3
Hydrochloric Acid SCHEMBL920374 0.80 MAPK1 (0.43) MAPK1GRNSORT1SLC7A5NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447136-B2 Semisynthetic derivatives of Nystatin A1 BLIRT S.A. (PL) 2016-09-20 — — US disclosed
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 BLIRT S.A. (PL) 2015-02-12 — — 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-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 NPC1, NPC1L1, LSS MAPK1 1925/4885GRN 769/4885SORT1 148/4885

“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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