SCHEMBL14925914

SCHEMBL14925914

CC1=C(C(=O)N(C)C)CN=C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30986544 0.58 MEN1 (0.37) ALDH1A1HPGDSMN1; SMN2
SCHEMBL18667426 0.57 KDM4A (0.38) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12975485 0.57 POLB (0.46) ALDH1A1HPGDSMN1; SMN2
SCHEMBL14925910 0.57 ALDH1A1 (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL18950195 0.57 ALDH1A1 (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL11789719 0.57
SCHEMBL19539187 0.55 TLR8 (0.44) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12975492 0.55 KMT2A (0.42) ALDH1A1HPGDSMN1; SMN2
SCHEMBL15780518 0.55 APLNR (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL5032078 0.55 MAP4K1 (0.37) ALDH1A1HPGDSMN1; 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-9247745-B2 Substituted pyridazines for controlling invertebrate pests BASF SE (DE) 2016-02-02 US disclosed
US-20130116264-A1 Novel Hetaryl (thio)carboxamide Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-05-09 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-20130116264-A1 Novel Hetaryl (thio)carboxamide Compounds for Controlling Invertebrate Pests TH, CYP8B1, ETFA ALDH1A1 2112/4885HPGD 1196/4885SMN1; SMN2 4341/4885

“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.