SCHEMBL1415007

SCHEMBL1415007

CCC(CC)(Sc1nc2cc(C)ccc2[nH]1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 10/20 0.43
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
RECQL P46063 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MPO P05164 1/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL4551595 0.78 KMT2A (0.56) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL8366653 0.72 CYP1A2 (0.54) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL14959209 0.72 KMT2A (0.65) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL1415008 0.70 ALDH1A1 (0.57) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL4597359 0.70 ALDH1A1 (0.53) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL30707844 0.69 PIN1 (0.55) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL4675197 0.69 POLB (0.51) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL8077743 0.69 MAPT (0.41) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL10844608 0.68 AR (0.44) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL26241758 0.68 PIN1 (0.57) ALDH1A1MAPTKMT2AMEN1CYP1A2

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 6 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
EP-2293671-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION Siga Technologies, Inc. (US) 2011-03-16 EP claimed
US-9029376-B2 Small molecule inhibitors for the treatment or prevention of dengue virus infection SIGA TECHNOLOGIES, INC. (US) 2015-05-12 US disclosed
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SIGA TECHNOLOGIES, INC. 2011-06-30 US disclosed
EP-2293671-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION Siga Technologies, Inc. (US) 2011-03-16 EP 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-20150202195-A1 SMALL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION SNRPE, EIF2AK2, HAVCR2 ALDH1A1 3106/4885POLB 3721/4885MAPT 219/4885
US-20110158940-A1 SAMLL MOLECULE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DENGUE VIRUS INFECTION HAVCR2, HNRNPLL, SAMSN1 ALDH1A1 2694/4885POLB 4523/4885MAPT 480/4885

“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.