SCHEMBL30708642

SCHEMBL30708642

NC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN2CCCC2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.46
TNIK Q9UKE5 1/20 0.43
TNF P01375 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHEK1 O14757 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE5A O76074 1/20 0.41
ACHE P22303 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL3156250 0.99 GAA (0.48) GAAHTTRAB9ATNIKTNF
SCHEMBL3156243 0.99 GAA (0.48) GAAHTTRAB9ATNIKTNF
Trifluoroacetic Acid SCHEMBL3147599 0.95 SLC2A1 (0.44) GAAHTTRAB9ATNIKTNF
Trifluoroacetic Acid SCHEMBL3678836 0.95 SLC2A1 (0.44) GAAHTTRAB9ATNIKTNF
Trifluoroacetic Acid SCHEMBL3678977 0.94 GAA (0.44) GAAHTTRAB9ATNFALDH1A1
Trifluoroacetic Acid SCHEMBL3678978 0.94 GAA (0.44) GAAHTTRAB9ATNFALDH1A1
SCHEMBL3149028 0.93 GAA (0.48) GAAHTTRAB9ATNIKTNF
SCHEMBL3149037 0.93 GAA (0.48) GAAHTTRAB9ATNIKTNF
SCHEMBL30708640 0.92 HIF1A (0.52) HTTRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30708639 0.91 RAB9A (0.46) GAAHTTRAB9AALDH1A1KDM4E

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 GAA 1987/4885HTT 2694/4885RAB9A 3301/4885

“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.