SCHEMBL7169178

SCHEMBL7169178

Cc1cc2c([N+](=O)[O-])cccn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TSHR P16473 5/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GPR35 Q9HC97 2/20 0.38
PKM P14618 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL7172073 0.78 CRHBP (0.46) TDP1HSD17B10ALDH1A1MAPTNPC1
SCHEMBL31326413 0.75 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL7167679 0.72 ALDH1A1 (0.56) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL17620588 0.72 ALDH1A1 (0.49) TDP1HSD17B10ALDH1A1MAPTNPC1
SCHEMBL26422705 0.69 KDM4E (0.38) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL16632648 0.69 ALDH1A1 (0.38) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL26422702 0.69 ALDH1A1 (0.45) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL9096250 0.69 ALDH1A1 (0.58) TDP1HSD17B10ALDH1A1MAPTNPC1
Bromide SCHEMBL9099454 0.68 ALDH1A1 (0.57) TDP1HSD17B10ALDH1A1MAPTNPC1
SCHEMBL31392510 0.66 TDP1 (0.43) TDP1HSD17B10ALDH1A1MAPTNPC1

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 TDP1 1358/4885HSD17B10 1906/4885ALDH1A1 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 TDP1 1358/4885HSD17B10 1906/4885ALDH1A1 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.