SCHEMBL5306178

SCHEMBL5306178

Cc1cc(Br)ccc1C(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL4850349 0.83 KCNH2 (0.50) KCNH2MAPTMEN1KMT2AFLT1
SCHEMBL12694463 0.81 MEN1 (0.44) KCNH2MAPTMEN1KMT2ACYP1A2
SCHEMBL5010636 0.80 MAPT (0.46) KCNH2MAPTMEN1KMT2ACYP1A2
SCHEMBL29405913 0.80 MAPT (0.46) KCNH2MAPTMEN1KMT2ACYP1A2
SCHEMBL5795125 0.80 DGAT1 (0.54) KCNH2MAPTKMT2AFLT1FLT4
SCHEMBL4151911 0.80 KCNH2 (0.46) KCNH2MAPTMEN1KMT2AFLT1
SCHEMBL30477042 0.80 DGAT1 (0.54) KCNH2MAPTKMT2AFLT1FLT4
SCHEMBL26672152 0.80 KCNH2 (0.46) KCNH2MAPTMEN1KMT2ACYP1A2
SCHEMBL1922044 0.79 HSP90AB1 (0.47) MAPTMEN1KMT2AFLT1FLT4
SCHEMBL11543627 0.79 GSK3B (0.53) MAPTMEN1KMT2AFLT1FLT4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO 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-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 KCNH2 3668/4885MAPT 3645/4885MEN1 4805/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 KCNH2 3668/4885MAPT 3645/4885MEN1 4805/4885

“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.