SCHEMBL26547019

SCHEMBL26547019

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
PARP1 P09874 2/20 0.35
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
SCHEMBL14793109 0.83 CYP3A4 (0.42) ALDH1A1TDP1PARP1RIPK1CYP17A1
SCHEMBL26546239 0.82 ADRA2A (0.40) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL25985076 0.75 LIPG (0.42)
SCHEMBL22754650 0.72 KDR (0.43) LMNAPOLBHTTSMN1; SMN2ADRA1A
SCHEMBL22754686 0.72 CCNC (0.50) LMNAPOLBHTTSMN1; SMN2ADRA1A
SCHEMBL25898606 0.70 NOS3 (0.44) ALDH1A1LMNAPOLBKDRRAF1
SCHEMBL270340 0.69 ALDH1A1 (0.62) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL24549069 0.69 HDAC6 (0.35) LMNAHTTPARP1RAF1BRAF
SCHEMBL348623 0.69 TSHR (0.52) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL18809093 0.69 UHRF1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2NPSR1

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 ALDH1A1 1883/4885LMNA 4267/4885POLB 1776/4885

“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.