SCHEMBL6020342

SCHEMBL6020342

N#CCCN(S)C(=O)Nc1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
KMT2A Q03164 4/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
EPHX2 P34913 5/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PSMD14 O00487 1/20 0.38
HPGD P15428 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL6020848 0.78 USP2 (0.42) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL6019844 0.72 KDM4E (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6020760 0.70 EPHX2 (0.51) ALDH1A1KMT2ATP53EPHX2MEN1
SCHEMBL6020338 0.68 KMT2A (0.62) ALDH1A1LMNAKMT2AALOX12EPHX2
SCHEMBL6019550 0.68 ALDH1A1 (0.48) ALDH1A1LMNANPSR1KMT2AMEN1
SCHEMBL6020143 0.68 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL6021584 0.67 KMT2A (0.51) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL6020902 0.67 GAA (0.52) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL2097325 0.65 ALDH1A1 (0.62) ALDH1A1ALPLALPIALPGEPHX2
SCHEMBL2097323 0.65 ALDH1A1 (0.58) ALDH1A1ALPLALPIALPGEPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 ALDH1A1 662/4885LMNA 549/4885NPSR1 3020/4885

“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.