SCHEMBL3679921

SCHEMBL3679921

Cc1nc2ncnn2cc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KIF11 P52732 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL3677538 0.76 KDM4E (0.41) ALDH1A1KDM4EMAPK1GAACYP2C19
SCHEMBL302642 0.69 MBOAT4 (0.50) DGAT1ALDH1A1NPC1RAB9AMAPT
SCHEMBL259260 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EMAPK1GAACYP2C19
SCHEMBL10145042 0.67 COMT (0.44) DGAT1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL25276442 0.66 GAA (0.39) ALDH1A1KDM4EMAPK1GAACYP2C19
SCHEMBL13508897 0.66 PDE10A (0.38) GAACYP2C19
SCHEMBL17806567 0.66 KIF11 (0.44) DGAT1ALDH1A1KDM4EHTTNPC1
SCHEMBL26569654 0.65 KIF11 (0.42) DGAT1ALDH1A1KDM4EHTTNPC1
SCHEMBL12603986 0.65 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1GAACYP2C19
SCHEMBL17752219 0.65 ALDH1A1 (0.46) DGAT1ALDH1A1KDM4EHTTNPC1

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-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 US disclosed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 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-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS DGAT1 2762/4885ALDH1A1 1178/4885KDM4E 2704/4885

“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.