SCHEMBL5284210

SCHEMBL5284210

CN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.78
HSPD1 P10809 1/20 0.64
HSPE1 P61604 1/20 0.64
NAT1 P18440 1/20 0.64
CISD1 Q9NZ45 4/20 0.63
MAOB P27338 2/20 0.63
MAOA P21397 1/20 0.62
MEN1 O00255 2/20 0.60
GAA P10253 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
HSP90AA1 P07900 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
KDM4E B2RXH2 1/20 0.60
JAK2 O60674 1/20 0.60
NSD2 O96028 1/20 0.60
ALDH1A1 P00352 1/20 0.60

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
SCHEMBL5284203 1.00 HSD17B3 (0.78) HSD17B3HSPD1HSPE1NAT1CISD1
SCHEMBL5284212 1.00 HSD17B3 (0.78) HSD17B3HSPD1HSPE1NAT1CISD1
SCHEMBL21301429 0.89 HSD17B3 (0.74) HSD17B3NAT1CISD1MAOBMAOA
SCHEMBL9331154 0.85 PDE4B (0.73) HSD17B3MEN1KMT2APOLBALDH1A1
SCHEMBL8710472 0.85 HSD17B3 (0.70) HSD17B3HSPD1HSPE1NAT1CISD1
SCHEMBL8710470 0.85 HSD17B3 (0.70) HSD17B3HSPD1HSPE1NAT1CISD1
SCHEMBL9331160 0.85 PDE4B (0.73) HSD17B3MEN1KMT2APOLBALDH1A1
SCHEMBL17397858 0.84 CISD1 (0.73) HSD17B3NAT1CISD1MAOBMAOA
SCHEMBL17397856 0.84 CISD1 (0.73) HSD17B3NAT1CISD1MAOBMAOA
SCHEMBL17397857 0.84 CISD1 (0.73) HSD17B3NAT1CISD1MAOBMAOA

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
WO-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 WO claimed
US-9486447-B2 Compositions and methods for controlling neuronal excitation THE GENERAL HOSPITAL CORPORATION (US) 2016-11-08 US disclosed
US-9486447-B2 Compositions and methods for controlling neuronal excitation THE GENERAL HOSPITAL CORPORATION (US) 2016-11-08 US disclosed
US-20140330195-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEURONAL EXCITATION THE GENERAL HOSPITAL CORPORATION (US) 2014-11-06 US disclosed
US-20140330195-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEURONAL EXCITATION THE GENERAL HOSPITAL CORPORATION (US) 2014-11-06 US disclosed
WO-2012174049-A2 COMPOSITIONS AND METHODS FOR CONTROLLING NEURONAL EXCITATION THE GENERAL HOSPITAL CORPORATION (US) 2012-12-20 WO disclosed
WO-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 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 (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-20140330195-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEURONAL EXCITATION TRPA1, TRPV1, HCN3 HSD17B3 4403/4885HSPD1 2978/4885HSPE1 2960/4885

“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.