SCHEMBL5451003

SCHEMBL5451003

CCCCc1c(C)c(C#N)c2nc(-c3ccccn3)nn2c1N1CC[C@H](N(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPK8 P45983 2/20 0.35
BTK Q06187 2/20 0.35
MRGPRX2 Q96LB1 2/20 0.35
MAPK10 P53779 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL5443991 0.89 MAPK8 (0.40) SMN1; SMN2HPGDKMT2AHTTMAPT
SCHEMBL5440177 0.86 HPGD (0.35) HRH3L3MBTL1SMN1; SMN2HPGDKMT2A
SCHEMBL5441177 0.85 ADORA3 (0.40) L3MBTL1SMN1; SMN2HPGDKMT2AHTT
SCHEMBL5451001 0.84 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2HPGDKMT2AHTT
SCHEMBL5445127 0.82 HPGD (0.34) HRH3L3MBTL1SMN1; SMN2HPGDKMT2A
SCHEMBL5446949 0.80 HPGD (0.32) HRH3L3MBTL1SMN1; SMN2HPGDKMT2A
SCHEMBL5453316 0.80 HPGD (0.32) HRH3L3MBTL1SMN1; SMN2HPGDKMT2A
SCHEMBL5455618 0.78 HPGD (0.33) L3MBTL1SMN1; SMN2HPGDKMT2AHTT
SCHEMBL6310356 0.78 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2HPGDKMT2AHTT
SCHEMBL5439351 0.77 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2HPGDKMT2AHTT

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 HRH3 3568/4885L3MBTL1 3180/4885SMN1; 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.