SCHEMBL3394448

SCHEMBL3394448

O=C(Cc1cccs1)Nc1cnc(Nc2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
HTT P42858 4/20 0.58
NPC1 O15118 3/20 0.54
POLB P06746 8/20 0.52
ESR1 P03372 4/20 0.52
ESR2 Q92731 3/20 0.52
STAT3 P40763 1/20 0.52
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
NTRK1 P04629 1/20 0.51
FYN P06241 1/20 0.51
RET P07949 1/20 0.51
MET P08581 1/20 0.51

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
SCHEMBL6651050 0.77 MEN1 (0.74) SMN1; SMN2HTTNPC1POLBESR1
SCHEMBL2366947 0.77 MAPT (0.56) SMN1; SMN2HTTNPC1POLBESR1
SCHEMBL3396830 0.77 HPGD (0.58) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL29042444 0.76 MEN1 (0.72) SMN1; SMN2HTTNPC1POLBESR1
SCHEMBL6249556 0.76 CDK5 (0.70) SMN1; SMN2HTTNPC1POLBESR1
SCHEMBL3395871 0.74 EPHX2 (0.58) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL6335118 0.71 MAPK13 (0.56) SMN1; SMN2NPC1POLBMEN1KMT2A
SCHEMBL5836589 0.71 SMN1; SMN2 (0.71) SMN1; SMN2HTTNPC1POLBESR1
SCHEMBL3398516 0.69 RAB9A (0.58) SMN1; SMN2HTTNPC1POLBMEN1
SCHEMBL3397250 0.69 RAB9A (0.61) SMN1; SMN2NPC1POLBHSD17B10MEN1

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 2662/4885HTT 3579/4885NPC1 2281/4885

“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.