SCHEMBL12225869

SCHEMBL12225869

O=C(Nc1nc2ccc(O)cc2s1)c1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.74
HSD17B2 P37059 6/20 0.70
SCD O00767 2/20 0.66
DYRK1A Q13627 3/20 0.63
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SNCA P37840 1/20 0.58
LRRK2 Q5S007 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57

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
SCHEMBL31024 0.92 HSD17B1 (0.82) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL16554035 0.88 HSD17B1 (0.76) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL19464560 0.87 HSD17B1 (0.74) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL13329360 0.87 HSD17B1 (0.74) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL12199347 0.87 HSD17B1 (0.76) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL12199323 0.87 HSD17B1 (0.76) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL29788 0.86 HSD17B1 (0.82) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL12225800 0.86 MAP3K5 (0.76) SCDDYRK1ANPC1RAB9AKDM4E
SCHEMBL31006 0.85 HSD17B1 (1.00) HSD17B1HSD17B2SCDDYRK1ANPC1
SCHEMBL16554129 0.85 HSD17B1 (0.75) HSD17B1HSD17B2SCDDYRK1ANPC1

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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 HSD17B1 3226/4885HSD17B2 3825/4885SCD 2053/4885

“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.