SCHEMBL7169102

SCHEMBL7169102

CN(C)CCc1c(-c2ccccc2)cn2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
HPGD P15428 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 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 3/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
HTR6 P50406 6/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7169417 0.92 KDM4E (0.46) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL7174133 0.86 ALDH1A1 (0.48) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL4276497 0.80 ALDH1A1 (0.45) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL7167374 0.80 HTR6 (0.40) HTR2AHTR2CTAAR1HTR6HTR7
SCHEMBL13438866 0.80 HRH3 (0.55) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6213376 0.79 ALDH1A1 (0.45) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6510445 0.78 KDM4E (0.50) KDM4EALDH1A1MEN1HPGDKMT2A
Iodide SCHEMBL6216315 0.78 ALDH1A1 (0.44) KDM4EALDH1A1MEN1HPGDKMT2A
Bromide SCHEMBL6215742 0.78 ALDH1A1 (0.44) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6217658 0.77 ALDH1A1 (0.46) KDM4EALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 KDM4E 1225/4885ALDH1A1 897/4885MEN1 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 KDM4E 1225/4885ALDH1A1 897/4885MEN1 3434/4885

“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.