SCHEMBL6005477

SCHEMBL6005477

CC(=O)Nc1ccc(CNc2ccc(N)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAD52 P43351 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PPID Q08752 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL30795022 1.00 PTPN1 (0.46) PTPN1CYP2C19MAPTCYP2C9CYP1A2
Hydrochloric Acid SCHEMBL2987835 0.99 PTPN1 (0.45) PTPN1CYP2C19MAPTCYP2C9CYP1A2
SCHEMBL7560152 0.82 MAPT (0.47) CYP2C19MAPTCYP2C9CYP1A2ALDH1A1
SCHEMBL2983014 0.81 PKM (0.57) PTPN1CYP2C19MAPTPKMALDH1A1
SCHEMBL6259279 0.80 TNIK (0.49) CYP2C19MAPTCYP2C9CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL2990515 0.80 PKM (0.55) PTPN1CYP2C19MAPTPKMALDH1A1
Hydrochloric Acid SCHEMBL2990577 0.79 TNIK (0.48) CYP2C19MAPTCYP2C9CYP1A2ALDH1A1
SCHEMBL30794377 0.78 PTPN1 (0.48) PTPN1CYP2C19MAPTCYP2C9CYP1A2
SCHEMBL6005423 0.78 PTPN1 (0.48) PTPN1CYP2C19MAPTCYP2C9CYP1A2
SCHEMBL1358811 0.77 MAPT (0.63) CYP2C19MAPTCYP2C9CYP1A2ALDH1A1

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 12 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
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
EP-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 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 PTPN1 2396/4885CYP2C19 11/4885MAPT 860/4885

“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.