SCHEMBL15979322

SCHEMBL15979322

CCC(C)(CC)c1nnc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
NPC1 O15118 4/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
RAB9A P51151 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 3/20 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
SCHEMBL18912020 0.86 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL10224281 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL23638525 0.81 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL21941232 0.80 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL750920 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL8350565 0.71 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL14424533 0.70 NPSR1 (0.57) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL252699 0.69 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL252260 0.69 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2CYP2C9KMT2A
SCHEMBL24862850 0.68 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-08-28 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-20140243292-A1 SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, CACNA1E, SLC8B1 KDM4E 3167/4885ALDH1A1 2007/4885SMN1; SMN2 837/4885

“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.