SCHEMBL2624081

SCHEMBL2624081

Nc1nc2cccc(-c3nc(-c4ccccc4)cs3)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
ASH1L Q9NR48 1/20 0.50
KDM4E B2RXH2 6/20 0.49
KMT2A Q03164 4/20 0.49
AR P10275 1/20 0.49
MEN1 O00255 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
BRCA1 P38398 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL2624082 0.84 KDM4E (0.48) ALDH1A1KDM4EKMT2AARMEN1
SCHEMBL31621268 0.83 ASH1L (0.62) ALDH1A1ASH1LKDM4EKMT2AMEN1
SCHEMBL14860945 0.83 ASH1L (0.62) ALDH1A1ASH1LKDM4EKMT2AMEN1
SCHEMBL1206446 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AARMEN1
SCHEMBL11454418 0.73 KMT2A (0.59) ALDH1A1KDM4EKMT2AARMEN1
SCHEMBL2624083 0.72 SREBF2 (0.46) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL2781370 0.72 KDM4E (0.85) ALDH1A1KDM4EKMT2AARMEN1
SCHEMBL29013271 0.72 PIK3CD (0.55) ALDH1A1ASH1LKDM4EMAPTTP53
SCHEMBL23742623 0.72 RAB9A (0.63) ALDH1A1KDM4EKMT2AARMEN1
SCHEMBL11146948 0.72 RAB9A (0.55) ALDH1A1KDM4EKMT2AARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ALDH1A1 1322/4885ASH1L 4360/4885KDM4E 507/4885

“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.