SCHEMBL6004955

SCHEMBL6004955

CC(=O)Nc1ccc(CNc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.53
CYP26B1 Q9NR63 7/20 0.53
PTPN1 P18031 1/20 0.51
RARA P10276 3/20 0.49
RARB P10826 3/20 0.49
RARG P13631 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
TBXA2R P21731 1/20 0.49
BLVRB P30043 1/20 0.49
RXRA P19793 1/20 0.45

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
SCHEMBL30794905 1.00 CYP26A1 (0.53) CYP26A1CYP26B1PTPN1RARARARB
SCHEMBL3935697 0.84 RARB (0.64) CYP26A1CYP26B1RARARARBRARG
SCHEMBL5888067 0.84 RARB (0.66) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8677671 0.82 CYP3A4 (0.61) CYP26A1CYP26B1RARARARBRARG
SCHEMBL22182125 0.77 CYP26A1 (0.47) CYP26A1CYP26B1RARARARBRARG
SCHEMBL9747007 0.77 RARA (0.62) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8458958 0.76 RXRA (0.69) CYP26A1CYP26B1RARARARBRARG
SCHEMBL9748378 0.76 FFAR1 (0.58) CYP26A1CYP26B1CYP3A4
SCHEMBL13411648 0.75 CYP26A1 (0.55) CYP26A1CYP26B1RARARARBRARG
SCHEMBL8106736 0.75 CYP26A1 (0.56) CYP26A1CYP26B1RARARARBRARG

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 9 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
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 CYP26A1 183/4885CYP26B1 222/4885PTPN1 2396/4885

“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.