SCHEMBL25332005

SCHEMBL25332005

O=C(O)NC1Cc2cccnc2N(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
TRPV1 Q8NER1 8/20 0.40
GAA P10253 2/20 0.38
SLC6A2 P23975 1/20 0.38
P2RX7 Q99572 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CRHR1 P34998 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
AADAT Q8N5Z0 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
SCHEMBL27057711 0.87 SCN9A (0.40) PDE4BTRPV1SLC6A2FPR1FPR2
SCHEMBL25331737 0.83 PDE4B (0.40) PDE4BTRPV1GAASLC6A2P2RX7
SCHEMBL25330331 0.82 SLC6A2 (0.55) SLC6A2FPR1FPR2
SCHEMBL25379854 0.79 FPR1 (0.41) TRPV1GAASLC6A2ALDH1A1FPR1
SCHEMBL25331214 0.79 FPR1 (0.41) TRPV1GAASLC6A2ALDH1A1FPR1
SCHEMBL29073342 0.78 TRPA1 (0.39) PDE4BTRPV1SLC6A2ALDH1A1TSHR
SCHEMBL3773883 0.77 RIPK1 (0.38) AADAT
SCHEMBL25331370 0.74 GAA (0.41) GAASLC6A2ALDH1A1FPR1FPR2
SCHEMBL25380432 0.74 SLC6A2 (0.48) SLC6A2FPR1FPR2
SCHEMBL25331107 0.72 SLC6A2 (0.40) GAASLC6A2ALDH1A1FPR1FPR2

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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 US disclosed
EP-4222143-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER Katholieke Universiteit Leuven (BE) 2023-08-09 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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER YAP1, TEAD2, TEAD1 PDE4B 2327/4885TRPV1 3761/4885GAA 3341/4885

“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.