SCHEMBL10138490

SCHEMBL10138490

Cc1ccc(SNc2nc(-c3ccccc3)nn2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.53
NR1H2 P55055 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4C Q9H3R0 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.42
TDP2 O95551 1/20 0.42
RAF1 P04049 1/20 0.42

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
SCHEMBL10138486 0.79 KMT2A (0.45) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL10119720 0.77 MAPT (0.58) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL12909523 0.76 NR1H3 (0.59) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL633323 0.75 MAPT (0.58) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL10139034 0.74 NR1H3 (0.58) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL10138891 0.74 MAPT (0.57) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL10138501 0.72 ADORA3 (0.58) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL12890482 0.72 NR1H3 (0.54) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL15031131 0.71 NR1H3 (0.53) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL822566 0.70 NR1H3 (1.00) NR1H3NR1H2NPC1RAB9AKDM4C

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 NR1H3 1109/4885NR1H2 1211/4885NPC1 3651/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 NR1H3 1109/4885NR1H2 1211/4885NPC1 3651/4885

“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.