SCHEMBL12340709

SCHEMBL12340709

[C-]#[N+]Cc1ccc(Br)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.44
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL12340741 0.78 SMN1; SMN2 (0.36) PYCR1ALDH1A1MAPK1MAPT
SCHEMBL10168080 0.76 PYCR1 (0.42) PYCR1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL12340510 0.76 PYCR1 (0.42) PYCR1
SCHEMBL29958026 0.76 PYCR1 (0.42) PYCR1
SCHEMBL12164465 0.74 PYCR1 (0.49) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL307129 0.74 PYCR1 (0.49) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL29676673 0.74 PYCR1 (0.49) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL30169578 0.74 PYCR1 (0.49) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL29951023 0.73 PGK1 (0.38) ALDH1A1
SCHEMBL12630661 0.73 APLNR (0.41) ALDH1A1CA1CA2MEN1KMT2A

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 PYCR1 1998/4885ALDH1A1 792/4885MAPK1 3744/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT PYCR1 1998/4885ALDH1A1 792/4885MAPK1 3744/4885

“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.