SCHEMBL10119720

SCHEMBL10119720

Cc1ccc(CNc2nc(-c3ccccc3)nn2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
F2 P00734 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
THRB P10828 1/20 0.53
GAA P10253 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL2557000 0.80 KLKB1 (0.73) MAPTRAB9AF2SMN1; SMN2TSHR
SCHEMBL10119718 0.80 KMT2A (0.58) MAPTF2SMN1; SMN2HSD17B10HTT
SCHEMBL10138490 0.77 NR1H3 (0.53) MAPTRAB9ANPC1F2SMN1; SMN2
SCHEMBL14688696 0.75 KLKB1 (0.77) MAPTRAB9ANPC1F2SMN1; SMN2
SCHEMBL12909523 0.74 NR1H3 (0.59) RAB9ANPC1F2SMN1; SMN2TSHR
SCHEMBL2553008 0.74 KLKB1 (0.85) MAPTRAB9AF2SMN1; SMN2TSHR
SCHEMBL633323 0.73 MAPT (0.58) MAPTRAB9ANPC1KMT2ATHRB
SCHEMBL10139034 0.72 NR1H3 (0.58) RAB9ANPC1F2SMN1; SMN2TSHR
SCHEMBL10119766 0.72 MAPT (0.57) MAPTRAB9ANPC1F2SMN1; SMN2
SCHEMBL31641478 0.72 F2 (0.53) MAPTRAB9ANPC1F2SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US disclosed
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-8071631-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; arylsulfonamides such as 3,4-dimethoxy-N-[5-(4-chlorophenyl)-1,2,4-thiadiazole-3-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2011-12-06 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 MAPT 680/4885RAB9A 4505/4885NPC1 3651/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 MAPT 680/4885RAB9A 4505/4885NPC1 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.