SCHEMBL7166995

SCHEMBL7166995

COc1ccc(OC)c(-c2cc3ccccn3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.44
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 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
SCHEMBL3891998 0.86 HRH3 (0.53) TLR9KDM4EALDH1A1RAB9ANPC1
SCHEMBL7169116 0.82 NPC1 (0.44) TLR9KDM4EALDH1A1RAB9ANPC1
SCHEMBL1847594 0.80 RAB9A (0.61) TLR9KDM4EALDH1A1RAB9ANPC1
SCHEMBL7165743 0.78 RAB9A (0.58) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1851663 0.78 NPC1 (0.58) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7167670 0.76 HDAC4 (0.46) KDM4EALDH1A1L3MBTL1HDAC4HDAC2
SCHEMBL7441391 0.74 RAB9A (0.47) TLR9KDM4EALDH1A1RAB9ANPC1
SCHEMBL835688 0.74 KDM4E (0.64) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29572032 0.74 KDM4E (0.64) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
Iodide SCHEMBL30084369 0.73 KDM4E (0.62) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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 11 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
US-4334072-A CHROMOGENS, LEUCO DYES APPLETON PAPERS INC. (US) 1982-06-08 US disclosed
US-4275206-A CHROMOGENS FOR RECORDING AND MARKING SYSTEMS APPLETON PAPERS INC. (US) 1981-06-23 US disclosed
US-4232887-A PRESSURE SENSITIVE AND HEAT SENSITIVE ELEMENTS FOR RECORDING APPLETON PAPERS INC. (US) 1980-11-11 US 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 TLR9 3872/4885KDM4E 1225/4885ALDH1A1 897/4885
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 TLR9 3872/4885KDM4E 1225/4885ALDH1A1 897/4885

“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.