SCHEMBL30875154

SCHEMBL30875154

Nc1ccc(SC(F)(F)F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.53
ITGB2 P05107 2/20 0.52
ICAM1 P05362 2/20 0.52
ITGAL P20701 2/20 0.52
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 5/20 0.46
TSHR P16473 4/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.37
POLB P06746 2/20 0.36

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
SCHEMBL1403756 1.00 PDE7A (0.53) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL11056016 0.88 PDE7A (0.53) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL415457 0.84 ALDH1A1 (0.47) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL29700437 0.82 PDE7A (0.55) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL11315979 0.80 PDE7A (0.46) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL31256398 0.78 ALDH1A1 (0.48) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL9404035 0.78 ALDH1A1 (0.48) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL2936768 0.76 PDE7A (0.63) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL7187676 0.76 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALALDH1A1
SCHEMBL12828097 0.76 CYP3A4 (0.36) CYP3A4ALOX15HPGDHSD17B10HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN 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-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR PDE7A 3979/4885ITGB2 3940/4885ICAM1 3922/4885

“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.