SCHEMBL6005065

SCHEMBL6005065

CC(=O)Nc1ccc(CNc2cccc(Cn3ccnc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 7/20 0.50
TBXAS1 P24557 4/20 0.50
CYP19A1 P11511 4/20 0.50
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
ADRA2C P18825 1/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL13604350 0.90 MEN1 (0.63) MEN1TSHRKMT2ACYP11B1CYP11B2
SCHEMBL6005036 0.88 TBXAS1 (0.54) MEN1TSHRKMT2ACYP11B1CYP11B2
SCHEMBL6004960 0.80 TBXAS1 (0.48) MEN1TSHRKMT2ACYP11B1CYP11B2
SCHEMBL13006757 0.75 CYP11B1 (0.66) CYP11B1CYP11B2TBXAS1CYP19A1POLB
SCHEMBL4486676 0.74 AGTR2 (0.52) CYP11B1CYP11B2TBXAS1CYP19A1ADRA2C
SCHEMBL27481116 0.74 TBXAS1 (0.54) CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL5478998 0.73 CYP19A1 (0.73) CYP11B1CYP11B2TBXAS1CYP19A1ADRA2C
SCHEMBL9663855 0.73 CYP11B1 (0.50) CYP11B1CYP11B2TBXAS1CYP19A1NPC1
SCHEMBL10558762 0.73 S1PR1 (0.56) CYP11B1CYP11B2TBXAS1CYP19A1POLB
SCHEMBL3499969 0.72 FNTA (0.80)

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 13 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
CN-1759099-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2006-04-12 CN 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-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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
CN-1759099-A Substituted aniline derivatives LUNDBECK & CO AS H (DK) 2006-04-12 CN 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 MEN1 784/4885TSHR 1581/4885KMT2A 2966/4885

“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.