SCHEMBL15969245

SCHEMBL15969245

CCn1c(SC(C(N)=O)c2ccc(C(C)C)cc2)nnc1-c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
POLB P06746 2/20 0.66
CDC25A P30304 1/20 0.58
CDC25B P30305 1/20 0.58
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 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
SCHEMBL15969265 0.90 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL15983489 0.83 CDC25A (0.83) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL13831597 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL15969696 0.80 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL15983520 0.80 ALDH1A1 (0.83) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL6408220 0.80 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL13831599 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL22046629 0.79 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL13737457 0.78 KMT2A (0.69) ALDH1A1KMT2AMEN1POLBCDC25A
SCHEMBL18556544 0.77 KMT2A (0.58) ALDH1A1KMT2AMEN1POLBCDC25A

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-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 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-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885KMT2A 4216/4885MEN1 1662/4885

“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.