SCHEMBL3286995

SCHEMBL3286995

Cc1cc(C)c(-c2ccc(N)c3sc(N)nc23)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
LCK P06239 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CRHR1 P34998 2/20 0.34
ADORA1 P30542 3/20 0.34
NOS1 P29475 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3286375 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL3286721 0.79 MAPT (0.47) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL22833973 0.77 ALDH1A1 (0.61) SMN1; SMN2HSD17B10ALDH1A1MAPTRAB9A
SCHEMBL29501621 0.74 ALDH1A1 (0.56) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL5505676 0.73 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL4919115 0.72 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL3284326 0.70 CRHR1 (0.33) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL27307252 0.68 MAPT (0.39) SMN1; SMN2HSD17B10ALDH1A1MAPTRAB9A
SCHEMBL10991202 0.67 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL1913640 0.67 HSD17B10 (1.00) SMN1; SMN2HSD17B10HTTALDH1A1MAPT

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-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 SMN1; SMN2 2597/4885HSD17B10 2322/4885HTT 4154/4885

“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.