SCHEMBL2157488

SCHEMBL2157488

CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
AR P10275 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6625466 0.89 LTB4R2 (0.47) CRHBPCRHR2LTB4R2ALDH1A1KDM4E
SCHEMBL12464386 0.88 PTGDR2 (0.54) LTB4R2PTGDR2ALDH1A1HTTSMN1; SMN2
SCHEMBL2158851 0.85 LTB4R2 (0.48) LTB4R2PTGDR2ALDH1A1HTTMEN1
SCHEMBL2158429 0.84 LTB4R2 (0.47) CRHBPCRHR2LTB4R2PTGDR2ALDH1A1
SCHEMBL2158410 0.83 PTGES (0.48) LTB4R2PTGDR2ALDH1A1HTTCYP2C9
SCHEMBL2248703 0.79 MEN1 (0.47) CRHBPCRHR2LTB4R2MAPTMEN1
SCHEMBL2158287 0.79 PTGDR2 (0.46) LTB4R2PTGDR2ALDH1A1HTTLMNA
SCHEMBL3809784 0.78 MEN1 (0.44) CRHBPCRHR2PTGDR2ALDH1A1LMNA
SCHEMBL2157522 0.77 PTGDR2 (0.56) PTGDR2CYP2C9CYP2C19
SCHEMBL2157674 0.77 PTGDR2 (0.42) LTB4R2PTGDR2ALDH1A1KDM4EMAPT

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 CRHBP 3847/4885CRHR2 4664/4885LTB4R2 3225/4885

“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.