SCHEMBL4421719

SCHEMBL4421719

NC(=O)c1c[c]cc2sc(SCC(=O)N3CCOCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 8/20 0.46
LMNA P02545 3/20 0.46
THRB P10828 2/20 0.45
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL1412303 0.71 MAPT (0.74) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL17437376 0.69 ALDH1A1 (0.51) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL3748593 0.69 RAB9A (0.42) RAB9ANPC1MEN1KMT2A
SCHEMBL4250864 0.66 PDPK1 (0.38) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL26981198 0.66 ALDH1A1 (0.66) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL10875497 0.65 TP53 (0.60) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL11685004 0.65 ALDH1A1 (0.51) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL4638534 0.65
SCHEMBL1412295 0.63 THRB (0.84) SMN1; SMN2TP53LMNATHRBRXFP1
SCHEMBL1412344 0.63 SMN1; SMN2 (0.80) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US claimed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US claimed
WO-2009149054-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-12-10 WO claimed
US-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2015-07-23 US disclosed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 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 (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-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SNRPE, EIF2AK2, HAVCR2 ALDH1A1 3106/4885MAPK1 390/4885HSD17B10 3877/4885

“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.