SCHEMBL2624019

SCHEMBL2624019

Cc1ccc2c(nc(Cl)n2C(C)C)c1-c1nc(C2CCCC2)cs1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.34
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
FPR1 P21462 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAT P00750 1/20 0.31

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
SCHEMBL12730472 0.83 IDO1 (0.35) C1SNPC1ALDH1A1MAPTRAB9A
SCHEMBL878222 0.82 IDO1 (0.36) C1SNPC1ALDH1A1MAPTRAB9A
SCHEMBL1654372 0.81 AXL (0.35) C1SNPC1ALDH1A1MAPTRAB9A
SCHEMBL2624010 0.80 APLNR (0.32)
SCHEMBL1688346 0.78 NPC1 (0.36) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6124840 0.77 PLAT (0.36) C1SPLAT
SCHEMBL2624061 0.76 PLAT (0.38) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2624052 0.74 PIK3R2 (0.34) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2624059 0.74 MAPK14 (0.33) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10166379 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; 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 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 C1S 113/4885NPC1 675/4885ALDH1A1 1322/4885

“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.