SCHEMBL1127472

SCHEMBL1127472

c1ccc(CNc2ccn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.47
FABP6 P51161 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MMP3 P08254 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL27834271 0.81 GRK6 (0.52) ALDH1A1MMP3LMNAKMT2AMEN1
SCHEMBL1127706 0.81 LMNA (0.49) ALDH1A1LMNAHPGD
SCHEMBL8103118 0.75 HSD17B10 (0.51) FABP1FABP6HCAR2HSD17B10BACE1
SCHEMBL30760503 0.72 MEN1 (0.47) LMNAKMT2AMEN1
SCHEMBL2729473 0.72 SMN1; SMN2 (0.47) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL13180379 0.71
SCHEMBL2708052 0.70 MMP3 (0.42) FABP1FABP6ALDH1A1MMP3KMT2A
SCHEMBL13827586 0.70 RECQL (0.49) ALDH1A1LMNAHPGDHCAR2SMN1; SMN2
SCHEMBL21725013 0.69 POLB (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL2402889 0.69 PKM (0.44) HCAR2SMN1; SMN2

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 6 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
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 FABP1 19/4885FABP6 1630/4885ALDH1A1 1614/4885

“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.