SCHEMBL2157764

SCHEMBL2157764

CCCC(=O)N(Cc1ccccc1Cl)c1csc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.43
LTB4R2 Q9NPC1 7/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL2157862 0.87 MEN1 (0.45) MEN1KMT2ATP53LTB4R2BCHE
SCHEMBL12464655 0.87 LTB4R2 (0.40) MEN1KMT2ALTB4R2ALDH1A1NPSR1
SCHEMBL2158539 0.85 ALDH1A1 (0.41) LTB4R2ALDH1A1NPSR1CNR1
SCHEMBL2158682 0.84 LTB4R2 (0.48) MEN1KMT2ATP53LTB4R2ALDH1A1
SCHEMBL2157748 0.83 LTB4R2 (0.48) MEN1KMT2ATP53LTB4R2
SCHEMBL2157848 0.81 RAB9A (0.48) MEN1KMT2ATP53LTB4R2ALDH1A1
SCHEMBL2158076 0.79 LTB4R2 (0.47) TP53LTB4R2
SCHEMBL2157674 0.79 PTGDR2 (0.42) MEN1KMT2ALTB4R2ALDH1A1
SCHEMBL2157867 0.78 PTGDR2 (0.52) LTB4R2
SCHEMBL3812638 0.78 MEN1 (0.40) MEN1KMT2ATP53ALDH1A1

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS MEN1 3052/4885KMT2A 3270/4885TP53 4233/4885

“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.