SCHEMBL430284

SCHEMBL430284

CCN(CC)C(=O)c1sc2nc(NC)cc(NC)c2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 10/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HIF1A Q16665 1/20 0.52
HPGD P15428 6/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
IKBKB O14920 7/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 2/20 0.41
HSD17B10 Q99714 3/20 0.40

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
SCHEMBL10134576 0.76 KDM4E (0.67) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL430285 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2ANPSR1
SCHEMBL431989 0.67 KMT2A (0.66) ALDH1A1KDM4EMAPTKMT2ANPSR1
SCHEMBL431962 0.65 KMT2A (0.77) ALDH1A1KDM4EMAPTKMT2ANPSR1
SCHEMBL12873669 0.65 KMT2A (0.62) ALDH1A1KDM4EMAPTKMT2ANPSR1
SCHEMBL425232 0.64 NPC1 (0.68) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL5591927 0.64 PRKCI (0.61) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL19780880 0.62 CHRM4 (0.52) MAPT
SCHEMBL19421196 0.62 KDM4E (0.53) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL430708 0.61 MAPT (0.67) ALDH1A1KDM4EMAPTKMT2ANPSR1

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-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ALDH1A1 1271/4885KDM4E 1399/4885MAPT 138/4885

“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.