SCHEMBL5453328

SCHEMBL5453328

Cc1c(-c2ccccc2)c(Cl)n2nc(CCCl)nc2c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.41
ADRA2A P08913 1/20 0.41
ADORA2A P29274 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
MDM2 Q00987 1/20 0.38
PDE10A Q9Y233 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL5444608 0.89 HPGD (0.48) HSP90AA1LMNAHTTADRA2AADORA2A
SCHEMBL5444536 0.88 LMNA (0.47) HSP90AA1LMNAHTTADRA2AADORA2A
SCHEMBL5449932 0.85 ALDH1A1 (0.51) HSP90AA1LMNAHTTADRA2AADORA2A
SCHEMBL5447458 0.85 LMNA (0.45) HSP90AA1LMNAHTTADRA2AADORA2A
SCHEMBL5449311 0.84 LMNA (0.40) HSP90AA1LMNAHTTADRA2AADORA2A
SCHEMBL5441224 0.83 LMNA (0.48) HSP90AA1LMNAHTTADRA2AADORA2A
SCHEMBL5450251 0.82 LMNA (0.47) LMNAHTTADRA2AADORA2AHSD17B10
SCHEMBL5452647 0.80 PDE4D (0.44) LMNAHTTADRA2AADORA2AHSD17B10
SCHEMBL5440146 0.79 LMNA (0.44) LMNAHTTADRA2AADORA2AHSD17B10
SCHEMBL5441180 0.79 LMNA (0.44) LMNAHTTADRA2AADORA2AHSD17B10

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
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 HSP90AA1 705/4885LMNA 3512/4885HTT 3088/4885

“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.