SCHEMBL30708658

SCHEMBL30708658

C/C(Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)=C1/C(=O)Nc2cc(C(N)=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TOP2B Q02880 2/20 0.35
LMNA P02545 3/20 0.34
BACE1 P56817 1/20 0.34
AKT2 P31751 2/20 0.34
TERT O14746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FLT3 P36888 1/20 0.32
AURKB Q96GD4 1/20 0.32
CSF1R P07333 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
Trifluoroacetic Acid SCHEMBL2572729 0.94 BACE1 (0.33) SMN1; SMN2NPC1POLBRAB9ATOP2B
Trifluoroacetic Acid SCHEMBL2572727 0.94 BACE1 (0.33) SMN1; SMN2NPC1POLBRAB9ATOP2B
SCHEMBL2571915 0.91 POLB (0.43) SMN1; SMN2NPC1POLBRAB9ATOP2B
SCHEMBL2121862 0.91 POLB (0.43) SMN1; SMN2NPC1POLBRAB9ATOP2B
SCHEMBL30708644 0.88 AKT2 (0.34) SMN1; SMN2NPC1POLBRAB9ATOP2B
SCHEMBL2564367 0.83 KMT2A (0.37) SMN1; SMN2NPC1POLBRAB9ATOP2B
SCHEMBL2564369 0.83 KMT2A (0.37) SMN1; SMN2NPC1POLBRAB9ATOP2B
SCHEMBL224167 0.83 BACE1 (0.36) SMN1; SMN2TOP2BLMNABACE1KMT2A
Trifluoroacetic Acid SCHEMBL2569510 0.83 AKT2 (0.31) SMN1; SMN2NPC1POLBRAB9ATOP2B
Trifluoroacetic Acid SCHEMBL2569512 0.83 AKT2 (0.31) SMN1; SMN2NPC1POLBRAB9ATOP2B

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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 SMN1; SMN2 2525/4885NPC1 1224/4885POLB 4119/4885

“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.