SCHEMBL430285

SCHEMBL430285

CCN(CC)C(=O)c1sc2nc(C)c(N)c(C)c2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 7/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 4/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
CHRM4 P08173 7/20 0.52
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HIF1A Q16665 1/20 0.51
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL19780880 0.79 CHRM4 (0.52) CHRM4MAPTCHRM2CHRM1TP53
SCHEMBL10134576 0.78 KDM4E (0.67) ALDH1A1KDM4ERAB9ACHRM4MAPT
SCHEMBL14955139 0.76 CHRM4 (0.68) ALDH1A1KDM4EKMT2ARAB9ACACNA1B
SCHEMBL19769227 0.76 KDM4E (0.65) ALDH1A1KDM4EKMT2ARAB9ACACNA1B
SCHEMBL19769217 0.75 KDM4E (0.72) ALDH1A1KDM4EKMT2ARAB9ACACNA1B
SCHEMBL19525138 0.75 CHRM4 (0.49) CHRM4
SCHEMBL19769193 0.74 CHRM4 (0.55) CHRM4MAPTCHRM2CHRM1TP53
SCHEMBL430284 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL425233 0.70 HTT (0.65) ALDH1A1KDM4EKMT2ARAB9ACACNA1B
SCHEMBL3172346 0.70 HTT (0.55) ALDH1A1KDM4EKMT2ARAB9ACACNA1B

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 1399/4885KMT2A 2433/4885

“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.