SCHEMBL21140306

SCHEMBL21140306

CC(C)C(=O)Nc1cccc(C(I)(I)C(I)I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 7/20 0.47
F2R P25116 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 2/20 0.45
ALOX12 P18054 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MTNR1B P49286 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL19960601 0.85 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21140743 0.84 HSD17B10 (0.62) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5950098 0.81 SMN1; SMN2 (0.58) SMN1; SMN2LMNAALDH1A1F2RL3MBTL1
SCHEMBL5561958 0.80 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL31093984 0.80 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL26386086 0.76 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1F2RL3MBTL1
SCHEMBL25111096 0.75 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1F2RL3MBTL1
SCHEMBL19262175 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1F2RL3MBTL1
SCHEMBL2735680 0.73 HSD17B10 (0.65) SMN1; SMN2LMNAALDH1A1F2RL3MBTL1
SCHEMBL13391043 0.73 HSD17B10 (0.67) SMN1; SMN2LMNAALDH1A1F2RL3MBTL1

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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 SMN1; SMN2 4478/4885LMNA 1626/4885ALDH1A1 1508/4885

“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.