SCHEMBL1496423

SCHEMBL1496423

CCOC(=O)c1c(F)ccc(NC(C)C)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPT P10636 6/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HCAR3 P49019 1/20 0.40
AR P10275 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGER4 P35408 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 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
SCHEMBL1496392 0.84 KMT2A (0.56) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1654673 0.82 HCAR3 (0.51) KMT2AALDH1A1MAPTLMNAHCAR3
SCHEMBL1496442 0.80 SMN1; SMN2 (0.42) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1496420 0.78 PRKCZ (0.48) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL25350336 0.73 ALDH1A1 (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4332105 0.72 KMT2A (0.71) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5434215 0.72 KMT2A (0.44) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL2133106 0.72 KMT2A (0.40) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL9753804 0.70 ALDH1A1 (0.42) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL940019 0.70 PRKCZ (0.45) KMT2AALDH1A1MAPTRAB9ANPC1

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-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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 (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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 KMT2A 2755/4885ALDH1A1 1769/4885MAPT 4715/4885

“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.