SCHEMBL14925913

SCHEMBL14925913

CCN(C)C(=O)C1=C(C)C=NC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SPR P35270 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM5A P29375 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PLAT P00750 1/20 0.32
HDAC4 P56524 1/20 0.31
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL14925914 0.82 ALDH1A1 (0.32) HPGD
SCHEMBL14925929 0.63 NAMPT (0.33) ADRA1DADRA1AADRA1BSPRALOX5
SCHEMBL16545971 0.63 KMT2A (0.51) HPGDTDP1
SCHEMBL14518464 0.62 HDAC4 (0.51) HDAC4HPGDTDP1NAMPT
SCHEMBL11910533 0.62 TRPM8 (0.33) ADRA1DADRA1AADRA1BSPRALOX5
SCHEMBL21004417 0.62 SPR (0.44) SPRALOX5PTGS1PTGS2TRPM8
SCHEMBL24941110 0.61 SIRT3 (0.54) ADRA1DADRA1AADRA1BSPRKDM5A
SCHEMBL328097 0.61 DAO (0.52) TRPM8HDAC4HPGDTDP1
SCHEMBL6203474 0.61 ALOX5 (0.37) ADRA1DADRA1AADRA1BALOX5PTGS1
SCHEMBL13758037 0.61 MMP13 (0.49) HDAC4HPGDTDP1NAMPT

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 ADRA1D 2569/4885ADRA1A 1458/4885ADRA1B 2417/4885

“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.