SCHEMBL9959455

SCHEMBL9959455

CC(=O)c1c[nH]c(=S)[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM3B Q7LBC6 1/20 0.69
KMT2A Q03164 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
PBRM1 Q86U86 1/20 0.39
CYP2C9 P11712 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UBE2N P61088 1/20 0.36
BRPF1 P55201 1/20 0.36
SLC22A4 Q9H015 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 3/20 0.34

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
SCHEMBL1210851 0.80 KDM3B (0.69) KDM3BKMT2ATDP1MAPTMEN1
SCHEMBL12872720 0.79 KDM3B (0.62) KDM3BKMT2ATDP1MAPTMEN1
SCHEMBL10001205 0.79 KDM3B (0.62) KDM3BKMT2ATDP1MEN1RXFP1
SCHEMBL190958 0.79 GAA (0.50) KDM3BKMT2APBRM1CYP2C9MAPT
SCHEMBL5202431 0.76 KDM3B (0.49) KDM3BKMT2ATDP1MAPTMEN1
SCHEMBL1810204 0.75 KMT2A (0.61) KDM3BKMT2ATDP1MAPTMEN1
SCHEMBL1203808 0.73 KMT2A (0.49) KDM3BKMT2ATDP1MAPTMEN1
SCHEMBL7553034 0.71 KDM3B (0.48) KDM3BKMT2ATDP1MAPTMEN1
SCHEMBL19912216 0.70
SCHEMBL25418259 0.70 ATAD2 (0.60) KDM3BKMT2ATDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293524-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY SPIRAL THERAPEUTICS INC. 2023-09-21 US disclosed
EP-2655340-B1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-8901147-B2 Bi-heteroaryl compounds as Vps34 inhibitors NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2014-06-05 US disclosed
EP-2655340-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS Novartis AG (CH) 2013-10-30 EP disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 WO disclosed
WO-2012085815-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS NOVARTIS AG (CH) 2012-06-28 WO 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-20140155402-A1 BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS VPS35, VPS26B, VPS26A KDM3B 1720/4885KMT2A 1122/4885TDP1 862/4885
US-20230293524-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY OTC, SLC26A4, OAT KDM3B 3596/4885KMT2A 4008/4885TDP1 747/4885

“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.