SCHEMBL2816463

SCHEMBL2816463

COc1c(CNC(=N)S)cc(C)cc1CNC(=N)S

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 3/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
MAPK1 P28482 1/20 0.31
CRHR2 Q13324 1/20 0.31
TP53 P04637 1/20 0.31

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
Bromide SCHEMBL2813893 0.98 ACHE (0.34) ACHESMN1; SMN2MAPTPOLBLMNA
SCHEMBL2810768 0.80 AMY1A (0.39) ACHESMN1; SMN2MAPTALDH1A1NPC1
Bromide SCHEMBL2813570 0.79 AMY1A (0.38) ACHESMN1; SMN2NPC1RAB9AGAA
SCHEMBL2809139 0.72 PGK1 (0.36) SMN1; SMN2MAPTPOLBLMNAALOX12
SCHEMBL2809272 0.72 PGK1 (0.36) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
Bromide SCHEMBL2810233 0.71 PGK1 (0.35) SMN1; SMN2MAPTPOLBLMNAALOX12
Hydrochloric Acid SCHEMBL2807752 0.71 PGK1 (0.35) SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2809413 0.69 ALDH1A1 (0.50) POLBKMT2AALDH1A1
SCHEMBL3302064 0.69 MAPT (0.52) ACHESMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL2815631 0.68 SETDB1 (0.31)

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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US claimed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH ACHE 4668/4885SMN1; SMN2 2035/4885MAPT 323/4885

“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.