SCHEMBL5446233

SCHEMBL5446233

CCCCc1c(C)c(C#N)c2nc(C(C)C)nn2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
HSP90AA1 P07900 1/20 0.39
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
MDM2 Q00987 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 6/20 0.33
GAA P10253 2/20 0.33
SLC2A1 P11166 1/20 0.33
APAF1 O14727 1/20 0.33
NOD2 Q9HC29 1/20 0.33
CYP1A2 P05177 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
SCHEMBL5444601 0.85 HPGD (0.54) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5450178 0.84 HPGD (0.53) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5449931 0.83 HPGD (0.51) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5446192 0.81 HPGD (0.50) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5459955 0.77 MAPT (0.57) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5440179 0.76 MAPT (0.51) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5453313 0.74 TSHR (0.33) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5453316 0.74 HPGD (0.32) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5439351 0.74 SMN1; SMN2 (0.53) HPGDNPSR1MAPTSMN1; SMN2RAB9A
SCHEMBL5451539 0.73 KMT2A (0.50) HPGDNPSR1MAPTSMN1; SMN2RAB9A

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 HPGD 1448/4885NPSR1 3826/4885MAPT 1405/4885

“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.