SCHEMBL1127754

SCHEMBL1127754

C#CCC(C(=O)O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PTPRA P18433 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP3A4 P08684 3/20 0.39
TBXAS1 P24557 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
RAB9A P51151 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL31354998 0.84 SMN1; SMN2 (0.48) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL13662211 0.81 CYP2C19 (0.39) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL1127868 0.81 MEN1 (0.59) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL2680153 0.78 ALDH1A1 (0.55) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL2583959 0.78 CYP1A2 (0.47) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL2683154 0.77 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL1127361 0.77 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL4278335 0.77 MEN1 (0.54) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MEN1
SCHEMBL29221637 0.76 GAA (0.38) CYP1A2ALDH1A1CYP2C19NPSR1PTPRA
SCHEMBL6282303 0.76 SLC6A2 (0.41) CYP1A2ALDH1A1NPSR1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF CYP1A2 1659/4885ALDH1A1 1614/4885CYP2C19 3230/4885

“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.