SCHEMBL30708646

SCHEMBL30708646

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 4/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CHEK1 O14757 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
MCHR1 Q99705 2/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
PDPK1 O15530 1/20 0.40
AKT2 P31751 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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 SCHEMBL2569360 0.94 TNF (0.41) TNFALDH1A1KDM4ELMNARAB9A
Trifluoroacetic Acid SCHEMBL2569359 0.94 TNF (0.41) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL2121963 0.91 LMNA (0.46) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL2121959 0.91 LMNA (0.46) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL2121264 0.90 RAB9A (0.47) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL2121268 0.90 RAB9A (0.47) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL30708641 0.87 ALDH1A1 (0.51) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL480571 0.84 LMNA (0.47) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL480570 0.84 LMNA (0.47) TNFALDH1A1KDM4ELMNARAB9A
SCHEMBL2572612 0.84 PLK1 (0.41) ALDH1A1KDM4EKMT2AHPGDSMN1; SMN2

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

“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.