SCHEMBL12340883

SCHEMBL12340883

[C-]#[N+]C(C)(C)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
HRH4 Q9H3N8 1/20 0.32
NOTUM Q6P988 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
S1PR4 O95977 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
NPFFR1 Q9GZQ6 1/20 0.30
NPFFR2 Q9Y5X5 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
SCHEMBL12340512 0.80 DGAT1 (0.34) KDM1ACYP11B1CYP11B2
SCHEMBL12155619 0.79 KDM1A (0.44) KDM1AHRH4NOTUMHCAR1CYP11B1
SCHEMBL12340896 0.78 KDM1A (0.36) KDM1AHRH4S1PR4
SCHEMBL30864218 0.78 KDM1A (0.50) KDM1AHRH4NOTUMHCAR1CYP11B1
SCHEMBL6267032 0.78 KDM1A (0.50) KDM1AHRH4NOTUMHCAR1CYP11B1
SCHEMBL12340710 0.78 HCAR1 (0.31) HCAR1CA1CA2
SCHEMBL22140212 0.73 KDM1A (0.40) KDM1AHRH4NOTUMHCAR1CYP11B1
SCHEMBL29951072 0.72 KDM1A (0.42) KDM1AHCAR1
SCHEMBL4474145 0.71 KDM1A (0.39) KDM1A
SCHEMBL195209 0.69 KDM1A (0.46) KDM1AHRH4NOTUMHCAR1S1PR4

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-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 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 (2 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT KDM1A 1728/4885HRH4 3260/4885NOTUM 1832/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT KDM1A 1728/4885HRH4 3260/4885NOTUM 1832/4885

“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.