SCHEMBL10138519

SCHEMBL10138519

O=Nc1cccc(-c2nnc(S)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 3/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOTUM Q6P988 1/20 0.33
SNCA P37840 1/20 0.33
THRB P10828 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
SCHEMBL8045495 0.75 HDAC1 (0.46) HSD17B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8047555 0.75 KDM4E (0.65) HSD17B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8042130 0.75 HSD17B1 (0.46) HSD17B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8043317 0.75 HSD17B1 (0.76) HSD17B1SMN1; SMN2RAB9ATP53HSD17B10
SCHEMBL11025151 0.75 KDM4E (0.49) HSD17B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL969040 0.73 ALDH1A1 (0.52) HSD17B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL967793 0.72 MGAM (0.69) ALDH1A1MEN1KMT2AGAAMGAM
SCHEMBL14557099 0.70 KDM4E (0.43) HSD17B1KDM4EALDH1A1GAAMGAM
SCHEMBL14557095 0.70 SNCA (0.37) HSD17B1KDM4EALDH1A1MEN1KMT2A
SCHEMBL28353374 0.70 ALDH1A1 (0.48) HSD17B1KDM4EALDH1A1MEN1KMT2A

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-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 US disclosed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 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 (2 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-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 HSD17B1 281/4885KDM4E 1039/4885ALDH1A1 1044/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 HSD17B1 281/4885KDM4E 1039/4885ALDH1A1 1044/4885

“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.