SCHEMBL6005036

SCHEMBL6005036

CC(=O)Nc1ccc(CNc2ccc(Cn3ccnc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.54
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
CYP19A1 P11511 5/20 0.51
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2B6 P20813 1/20 0.49

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
SCHEMBL6005065 0.88 MEN1 (0.52) TBXAS1NPC1POLBCYP19A1CYP11B1
SCHEMBL6004960 0.83 TBXAS1 (0.48) TBXAS1NPC1POLBCYP19A1CYP11B1
SCHEMBL8920184 0.80 NPC1 (0.56) TBXAS1NPC1POLBCYP19A1CYP11B1
SCHEMBL13604350 0.78 MEN1 (0.63) TBXAS1POLBCYP19A1CYP11B1CYP11B2
SCHEMBL20602561 0.76 CYP11B1 (0.61) TBXAS1POLBCYP19A1CYP11B1CYP11B2
SCHEMBL23747316 0.76 NAMPT (0.67) NPC1POLBCYP19A1CYP11B1CYP11B2
SCHEMBL12639833 0.75 CYP19A1 (0.68) TBXAS1CYP19A1CYP11B1CYP11B2CYP2A6
SCHEMBL15491160 0.74 CYP11B1 (0.67) TBXAS1POLBCYP19A1CYP11B1CYP11B2
SCHEMBL20623015 0.74 CYP11B1 (0.58) TBXAS1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL9663855 0.73 CYP11B1 (0.50) TBXAS1NPC1POLBCYP19A1CYP11B1

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 TBXAS1 2114/4885NPC1 237/4885POLB 2463/4885

“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.