SCHEMBL4276497

SCHEMBL4276497

NCCc1c(-c2ccccc2)cn2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 7/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HPGD P15428 4/20 0.45
GAA P10253 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
IL1R1 P14778 1/20 0.44
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.37

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
SCHEMBL27696454 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7169102 0.80 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6213376 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL13438866 0.80 HRH3 (0.55) ALDH1A1KDM4EMEN1KMT2AHPGD
Iodide SCHEMBL6216315 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
Bromide SCHEMBL6215742 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL6217658 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7169417 0.78 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7174133 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL4274631 0.77 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2AHPGD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608626-B2 Substituted indolizines and derivatives as CNS agents WYETH (US) 2009-10-27 US claimed
CN-101094852-A Substituted indolizines and derivatives as CNS active agents WYETH CORP (US) 2007-12-26 CN claimed
EP-1807427-A2 SUBSTITUTED INDOLIZINES AND DERIVATIVES AS CNS AGENTS Wyeth (US) 2007-07-18 EP claimed
WO-2006050007-A2 SUBSTITUTED INDOLIZINES AND DERIVATIVES AS CNS AGENTS WYETH (US) 2006-05-11 WO claimed
US-20060094752-A1 Substituted indolizines and derivatives as CNS agents WYETH (US) 2006-05-04 US claimed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US claimed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP claimed
US-7608626-B2 Substituted indolizines and derivatives as CNS agents WYETH (US) 2009-10-27 US disclosed
CN-101094852-A Substituted indolizines and derivatives as CNS active agents WYETH CORP (US) 2007-12-26 CN disclosed
EP-1807427-A2 SUBSTITUTED INDOLIZINES AND DERIVATIVES AS CNS AGENTS Wyeth (US) 2007-07-18 EP disclosed
WO-2006050007-A2 SUBSTITUTED INDOLIZINES AND DERIVATIVES AS CNS AGENTS WYETH (US) 2006-05-11 WO disclosed
US-20060094752-A1 Substituted indolizines and derivatives as CNS agents WYETH (US) 2006-05-04 US disclosed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US disclosed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP 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 (3 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-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 ALDH1A1 897/4885KDM4E 1225/4885MEN1 3434/4885
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 ALDH1A1 897/4885KDM4E 1225/4885MEN1 3434/4885
US-20060094752-A1 Substituted indolizines and derivatives as CNS agents HTR2C, HTR3A, HTR1A ALDH1A1 1692/4885KDM4E 3785/4885MEN1 2850/4885

“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.