SCHEMBL5717840

SCHEMBL5717840

NC(=O)Cc1csc(NC(=O)c2ccccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.57
PDE5A O76074 8/20 0.57
PDE1A P54750 4/20 0.55
PDE1B Q01064 4/20 0.55
PDE1C Q14123 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.51
SCD O00767 2/20 0.51
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL5717687 0.89 SCD (0.63) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL5717620 0.82 KDM4E (0.74) CSNK2A1PDE5APDE1APDE1BPDE1C
SCHEMBL419064 0.81 ALDH1A1 (0.58) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL13341995 0.80 F2 (0.59) CSNK2A1PDE5AALDH1A1MEN1MAPT
SCHEMBL27928219 0.79 PDE5A (0.53) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL5717678 0.78 GCK (0.65) CSNK2A1PDE5APDE1APDE1BPDE1C
SCHEMBL13342001 0.78 KMT2A (0.70) CSNK2A1PDE5APDE1APDE1BPDE1C
SCHEMBL3594519 0.76 ALDH1A1 (0.59) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL3610516 0.76 ALDH1A1 (0.59) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL2753300 0.76 MEN1 (0.52) PDE5APDE1APDE1BPDE1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CSNK2A1 2045/4885PDE5A 3027/4885PDE1A 4808/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CSNK2A1 2045/4885PDE5A 3027/4885PDE1A 4808/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CSNK2A1 2125/4885PDE5A 3428/4885PDE1A 4744/4885

“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.