SCHEMBL3392255

SCHEMBL3392255

CCC(CC)C(=O)Nc1cnc(Nc2ccc(C)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2367149 0.75 TNIK (0.64) MAPT
SCHEMBL25668521 0.74 HTT (0.68) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL3398555 0.74 RAB9A (0.55) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL3392274 0.73 MEN1 (0.51) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL3397250 0.73 RAB9A (0.61) SMN1; SMN2RAB9AMEN1KMT2ACYP1A2
SCHEMBL3394845 0.73 MEN1 (0.57) SMN1; SMN2RAB9AMEN1KMT2ACYP1A2
SCHEMBL3394645 0.72 RAB9A (0.54) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL3391621 0.72 MAPK14 (0.55) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL3392231 0.71 MEN1 (0.55) SMN1; SMN2RAB9AMEN1KMT2AHTT
SCHEMBL19464661 0.69 HTT (0.59) SMN1; SMN2RAB9AMEN1KMT2AHTT

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-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 SMN1; SMN2 2662/4885RAB9A 1982/4885MEN1 3798/4885

“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.