SCHEMBL6004368

SCHEMBL6004368

COc1cc(NCc2ccc(NC(C)=O)cc2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
HDAC1 Q13547 2/20 0.58
BRAF P15056 2/20 0.55
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54
TUBB3 Q13509 3/20 0.54
TUBB2A Q13885 3/20 0.54
TUBB8 Q3ZCM7 3/20 0.54
TUBA3E Q6PEY2 3/20 0.54
TUBA1A Q71U36 3/20 0.54
TUBA1C Q9BQE3 3/20 0.54
TUBB6 Q9BUF5 3/20 0.54
TUBB2B Q9BVA1 3/20 0.54
TUBB1 Q9H4B7 3/20 0.54
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53

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
SCHEMBL9189846 0.83 MAPT (0.60) MAPTBRAFTUBB4ATUBBTUBA3C
SCHEMBL6796229 0.80 MAPT (0.62) MAPTBRAFMEN1LMNAKMT2A
SCHEMBL12963403 0.79 TUBB1 (0.58) MAPTHDAC1TUBB4ATUBBTUBA3C
SCHEMBL9190510 0.79 TUBB4A (0.77) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6817059 0.78 MAPT (0.62) MAPTBRAFMEN1LMNAKMT2A
SCHEMBL6815042 0.78 MAPT (0.59) MAPTHDAC1TUBB4ATUBBTUBA3C
SCHEMBL11935942 0.78 CYP19A1 (0.61) MAPTHDAC1TUBB4ATUBBTUBA3C
SCHEMBL5841682 0.77 TUBB4A (0.59) MAPTHDAC1TUBB4ATUBBTUBA3C
SCHEMBL1065537 0.76 HDAC1 (0.66) HDAC1HPGDALDH1A1KDM4EALOX15
SCHEMBL1065539 0.76 HDAC1 (0.66) HDAC1HPGDALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US claimed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP claimed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 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-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 MAPT 860/4885HDAC1 775/4885BRAF 1713/4885

“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.