SCHEMBL30708641

SCHEMBL30708641

C/C(Nc1ccc(CN2CCCCC2)cc1)=C1/C(=O)Nc2cc(C(N)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TNF P01375 1/20 0.48
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
CHEK1 O14757 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
TNIK Q9UKE5 1/20 0.42
PDPK1 O15530 1/20 0.41
AKT2 P31751 1/20 0.41
MEN1 O00255 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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 SCHEMBL3148496 0.94 KDM4E (0.45) ALDH1A1KDM4ETNFLMNAKMT2A
Trifluoroacetic Acid SCHEMBL3675613 0.94 KDM4E (0.45) ALDH1A1KDM4ETNFLMNAKMT2A
SCHEMBL2120504 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ETNFLMNAKMT2A
SCHEMBL2120501 0.91 ALDH1A1 (0.49) ALDH1A1KDM4ETNFLMNAKMT2A
SCHEMBL2568154 0.89 MEN1 (0.49) KDM4ETNFLMNAKMT2AHTT
SCHEMBL2568149 0.89 MEN1 (0.49) KDM4ETNFLMNAKMT2AHTT
SCHEMBL3156243 0.88 GAA (0.48) ALDH1A1KDM4ETNFLMNAKMT2A
SCHEMBL3156250 0.88 GAA (0.48) ALDH1A1KDM4ETNFLMNAKMT2A
SCHEMBL30708646 0.87 TNF (0.46) ALDH1A1KDM4ETNFLMNAKMT2A
SCHEMBL30708642 0.87 GAA (0.46) ALDH1A1KDM4ETNFLMNAKMT2A

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 ALDH1A1 174/4885KDM4E 3638/4885TNF 211/4885

“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.