SCHEMBL18609201

SCHEMBL18609201

CN/N=C/c1ccc(O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.67
MPO P05164 2/20 0.63
GAA P10253 7/20 0.60
MAPT P10636 6/20 0.60
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
NPC1 O15118 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
APEX1 P27695 1/20 0.59
CASP6 P55212 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NT5E P21589 1/20 0.58
TRPA1 O75762 1/20 0.57
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL18726066 1.00 MMP9 (0.67) MMP9MPOGAAMAPTRAB9A
SCHEMBL19936630 0.87 MAPT (0.70) MPOGAAMAPTRAB9AKDM4E
SCHEMBL18609202 0.83 MMP9 (0.62) MMP9MPOGAAMAPTRAB9A
SCHEMBL18740661 0.83 MMP9 (0.62) MMP9MPOGAAMAPTRAB9A
SCHEMBL16224335 0.83 MMP9 (0.70) MMP9MPOGAAMAPTRAB9A
SCHEMBL18726040 0.83 GAA (0.64) MMP9MPOGAAMAPTRAB9A
SCHEMBL17073225 0.83 GAA (0.64) MMP9MPOGAAMAPTRAB9A
SCHEMBL591866 0.82 MAPT (0.73) MMP9MPOGAAMAPTRAB9A
SCHEMBL31021335 0.82 MAPT (0.73) MMP9MPOGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL17561015 0.81 MMP9 (0.68) MMP9MPOGAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362448-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2021-08-04 EP disclosed
EP-3362448-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2021-08-04 EP disclosed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-10414739-B2 Compounds as inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma INVENTIVA (FR) 2019-09-17 US disclosed
US-10414739-B2 Compounds as inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma INVENTIVA (FR) 2019-09-17 US disclosed
US-20180297964-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2018-10-18 US disclosed
EP-3362448-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA Inventiva (FR) 2018-08-22 EP disclosed
WO-2017064277-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-20 WO disclosed
WO-2017064277-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-20 WO disclosed
EP-3156404-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-19 EP disclosed
EP-3156404-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2017-04-19 EP disclosed
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2017-03-09 US 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 (3 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-20180297964-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 MMP9 1949/4885MPO 4315/4885GAA 4858/4885
US-10414739-B2 Compounds as inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma YAP1, TEAD2, TEAD1 MMP9 1632/4885MPO 4060/4885GAA 4852/4885
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS FASN, FADS2, FADS1 MMP9 1772/4885MPO 2383/4885GAA 485/4885

“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.