SCHEMBL5450154

SCHEMBL5450154

Cc1c(-c2ccccc2)c(N2CCCC2N(C)C)n2nc(C(C)(C)C(=O)O)nc2c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
AADAT Q8N5Z0 3/20 0.33
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
UCHL1 P09936 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 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
SCHEMBL5439991 0.92 USP30 (0.34) USP30ALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL5444668 0.89 LMNA (0.33) USP30ALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL5458301 0.87 GRM5 (0.36) USP30ALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL5442795 0.86 GRM5 (0.35) ALDH1A1SMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL5447367 0.84 AADAT (0.33) USP30ALDH1A1AADATKDM4ELMNA
SCHEMBL5442736 0.84 PDE4D (0.37) USP30ALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL5450157 0.84 MAPK8 (0.40) USP30ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5459933 0.84 HPGD (0.35) ALDH1A1SMN1; SMN2CYP2C9CYP2C19GRIA2
SCHEMBL5447271 0.84 LRRK2 (0.34) ALDH1A1GRIA2GRIA4KDM4EHPGD
SCHEMBL5446968 0.83 LMNA (0.35) USP30ALDH1A1SMN1; SMN2NPC1CYP1A2

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 USP30 4607/4885ALDH1A1 1357/4885SMN1; SMN2 4277/4885

“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.