SCHEMBL26546239

SCHEMBL26546239

C=C(c1cc(Cc2ccc(C(C)(C)C)cc2)ccn1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H4 Q96RI1 3/20 0.34
EPHX2 P34913 2/20 0.34
KCNH2 Q12809 1/20 0.34
MPO P05164 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL26547019 0.82 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL270340 0.69 ALDH1A1 (0.62) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL25972065 0.68 KMT2A (0.35) LMNAALDH1A1TDP1
SCHEMBL348623 0.68 TSHR (0.52) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL22766230 0.66 NR1H4 (0.46) LMNAALDH1A1SMN1; SMN2NR1H4EPHX2
SCHEMBL19240367 0.65 HDAC1 (0.45) POLBLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL14793109 0.65 CYP3A4 (0.42) ALDH1A1TDP1PARP1
SCHEMBL12733320 0.63 LMNA (0.73) LMNAALDH1A1ESRRG
SCHEMBL7095183 0.62 ALDH1A1 (0.50) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL18792478 0.61 KIF11 (0.38) LMNAALDH1A1HTTSMN1; SMN2TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 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-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FASN, NAAA, FPR3 ADRA2A 2626/4885ADRA2B 3236/4885ADRA2C 2616/4885

“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.