SCHEMBL6322230

SCHEMBL6322230

O=C(O)[C@H](Cc1ccccc1)N(Cc1cccs1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.41

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
SCHEMBL6322231 1.00 ALDH1A1 (0.43) ALDH1A1HSP90AA1MAPK1NPSR1KMT2A
SCHEMBL6317869 0.88 PPARA (0.48) NPC1RAB9A
SCHEMBL6319972 0.88 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6316686 0.88 PPARA (0.41) NPC1RAB9A
SCHEMBL6316688 0.88 PPARA (0.41) NPC1RAB9A
SCHEMBL6322854 0.86 PPARA (0.44) NPC1RAB9A
SCHEMBL6322860 0.86 PPARA (0.44) NPC1RAB9A
SCHEMBL6325614 0.85 KMT2A (0.39) KMT2A
SCHEMBL6325609 0.85 KMT2A (0.39) KMT2A
SCHEMBL6325714 0.85 SHMT1 (0.42)

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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS ALDH1A1 245/4885HSP90AA1 779/4885MAPK1 636/4885

“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.