SCHEMBL25709709

SCHEMBL25709709

CC(C)=CCOc1cc(NC(=S)c2ccoc2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.34
GRM4 Q14833 3/20 0.33
RORC P51449 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 3/20 0.32
HDAC6 Q9UBN7 2/20 0.32
PTK2 Q05397 1/20 0.32
THRB P10828 1/20 0.32

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
Uc 781 SCHEMBL2670342 0.80 LMNA (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
Uc 781 SCHEMBL29838161 0.80 LMNA (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30101193 0.75 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL599254 0.75 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6822542 0.71 SMN1; SMN2 (0.52) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30367409 0.71 SMN1; SMN2 (0.52) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13138528 0.69 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6409879 0.67 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13138533 0.67 BRD4 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17798951 0.67 LMNA (0.42) LMNASMN1; SMN2MAPTNPC1RAB9A

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-20230201246-A1 METAL COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS 2023-06-29 US disclosed
US-20230201246-A1 METAL COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS 2023-06-29 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-20230201246-A1 METAL COMPOSITIONS AND METHODS OF USE THEREOF SOD1, SOD3, SLC30A5 ADRA2A 4758/4885ADRA2B 4843/4885ADRA2C 4655/4885

“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.