SCHEMBL20529099

SCHEMBL20529099

COc1cc(C=O)ncc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTR1A P08908 1/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ APP P05067 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ RXRA P19793 1/20 0.47

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
SCHEMBL10673923 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ALMNAHTR1A
SCHEMBL414692 0.86 MRGPRX4 (0.55) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL33374393 0.86 ALDH1A1 (0.49) SMN1; SMN2HPGDLMNAALDH1A1APP
SCHEMBL19801537 0.83 NPC1 (0.51) SMN1; SMN2HPGDNPC1RAB9ALMNA
Formic Acid SCHEMBL27502633 0.81 NPC1 (0.49) SMN1; SMN2HPGDNPC1RAB9ALMNA
Formic Acid Methyl Ester SCHEMBL27562281 0.81 PDGFRB (0.47) SMN1; SMN2HPGDNPC1RAB9ALMNA
Formic Acid SCHEMBL27505160 0.80 SMN1; SMN2 (0.48) SMN1; SMN2HPGDNPC1RAB9ALMNA
SCHEMBL161066 0.79 ALDH1A1 (0.73) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL30389809 0.79 TTR (0.57) SMN1; SMN2LMNAALDH1A1HTTERN1
SCHEMBL26096897 0.79 TTR (0.57) SMN1; SMN2LMNAALDH1A1HTTERN1

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 7 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
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
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 SMN1; SMN2 3978/4885HPGD 1482/4885NPC1 4486/4885

“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.

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