SCHEMBL20529167

SCHEMBL20529167

CN(C)c1ccc(C=O)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
ALDH1A1 P00352 9/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A3 P47895 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
ALDH3A1 P30838 3/20 0.37
PTGS2 P35354 1/20 0.37
APP P05067 2/20 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
SCHEMBL4211530 0.80 ALDH1A1 (0.50) CYP2A6CYP2A13ALDH1A1MAPTSMN1; SMN2
SCHEMBL5317968 0.78 ALDH1A1 (0.37) CYP2A6CYP2A13ALDH1A1MAPTSMN1; SMN2
SCHEMBL29793691 0.77 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL14048151 0.77 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL15490163 0.77 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL15650835 0.77 TDP1 (0.43) CYP2A6ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL27694001 0.75 CYP2A6 (0.52) CYP2A6CYP2A13ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL15486878 0.75 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL12505382 0.75 GAA (0.54) ALDH1A1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL31565670 0.75 IKBKB (0.49) ALDH1A1MAPTSMN1; SMN2TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
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.