SCHEMBL15969696

SCHEMBL15969696

CCn1c(SC(C(N)=O)c2ccc(C(C)C)cc2)nnc1-c1ccnc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.38
PTK2 Q05397 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALPG P10696 3/20 0.38
ADRB2 P07550 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL15969245 0.80 ALDH1A1 (0.66) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL22019629 0.79 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHPGD
SCHEMBL13737241 0.79 ALDH1A1 (0.58) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL13831969 0.72 ANXA2 (0.45) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL15969265 0.71 ALDH1A1 (0.61) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL13831349 0.70 NPSR1 (0.60) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL15986529 0.69 LMNA (0.59) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL15983253 0.69 ALDH1A1 (0.62) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL15969511 0.68 L3MBTL1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13832004 0.67 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMEN1SMN1; SMN2

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 4216/4885POLB 4842/4885

“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.