SCHEMBL20529121

SCHEMBL20529121

CN(C)c1cc(C=O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CYP2A13 Q16696 1/20 0.47
ALDH1A1 P00352 8/20 0.40
ALDH1A3 P47895 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
ALDH3A1 P30838 4/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
APP P05067 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KIF11 P52732 1/20 0.36
HPGD P15428 2/20 0.35
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35

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
SCHEMBL3186339 0.84 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1ALDH1A3SMN1; SMN2
SCHEMBL27694001 0.81 CYP2A6 (0.52) CYP2A6CYP2A13ALDH1A1ALDH1A3TSHR
SCHEMBL4440360 0.80 PSEN1 (0.41) CYP2A6CYP2A13ALDH1A1ALDH1A3SMN1; SMN2
SCHEMBL25787683 0.80 ALDH1A1 (0.39) ALDH1A1TSHRAPPTDP1
SCHEMBL31267103 0.78 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3TSHR
SCHEMBL29012716 0.78 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3TSHR
SCHEMBL3198357 0.76 APP (0.62) CYP2A6CYP2A13ALDH1A1ALDH1A3TSHR
SCHEMBL27641082 0.76 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1ALDH1A3TSHR
SCHEMBL27764335 0.76 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1ALDH1A3TSHR
SCHEMBL20004391 0.76 APP (0.38) ALDH1A1KDM4EAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 WO 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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 CYP2A6 4557/4885CYP2A13 4544/4885ALDH1A1 3397/4885

“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.