SCHEMBL6004960

SCHEMBL6004960

CC(=O)Nc1ccc(CNc2ccccc2Cn2ccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.48
BRD4 O60885 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP19A1 P11511 3/20 0.46
RAB9A P51151 2/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
PTPN1 P18031 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL6005036 0.83 TBXAS1 (0.54) TBXAS1CYP11B1CYP11B2CYP19A1RAB9A
SCHEMBL29741621 0.81 CYP11B1 (0.60) TBXAS1CYP11B1CYP11B2CYP19A1MEN1
SCHEMBL6005065 0.80 MEN1 (0.52) TBXAS1BRD4CYP11B1CYP11B2CYP19A1
SCHEMBL7994363 0.76 TBXAS1 (0.54) TBXAS1BRD4CYP11B1CYP11B2CYP19A1
SCHEMBL13604350 0.72 MEN1 (0.63) TBXAS1BRD4CYP11B1CYP11B2CYP19A1
SCHEMBL8015939 0.72 CYP19A1 (0.62) TBXAS1CYP11B1CYP11B2CYP19A1POLB
SCHEMBL10580485 0.72 BRD4 (0.49) TBXAS1BRD4CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL28365310 0.71 CYP11B1 (0.62) TBXAS1CYP11B1CYP11B2CYP19A1MEN1
SCHEMBL8920184 0.70 NPC1 (0.56) TBXAS1CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL11706400 0.69 CYP11B1 (0.47) TBXAS1CYP11B1CYP11B2CYP19A1MEN1

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-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
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 2114/4885BRD4 2653/4885CYP11B1 40/4885

“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.