SCHEMBL5749110

SCHEMBL5749110

O=C1CSc2ccc(C(=O)CCl)nc2N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3926846 0.84 HTT (0.42) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL620000 0.82 HTT (0.50) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL13948583 0.78 HPGD (0.43) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL17007589 0.78 PDE3B (0.42) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL14611166 0.78 PDE3B (0.42) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL1267116 0.78 ALDH1A1 (0.54) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL4142650 0.74 PDE3B (0.46) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL30047289 0.74 PDE3B (0.46) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL2292992 0.74 PDE3B (0.46) HTTPDE3BPDE3AMAOAMAOB
SCHEMBL14610702 0.74 SLC6A4 (0.39) HTTPDE3BPDE3AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 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-20040198756-A1 Medicaments PIGO, PSAP, CD68 HTT 4369/4885PDE3B 1486/4885PDE3A 415/4885

“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.