SCHEMBL7842787

SCHEMBL7842787

Cn1c(N)cc(=O)n1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.65
BCHE P06276 1/20 0.51
PTGS2 P35354 1/20 0.51
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40

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
Antipyrine SCHEMBL28245052 0.79 NAPRT (0.93) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL20452 0.78 NAPRT (1.00) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL28311969 0.78 NAPRT (0.89) NAPRTBCHEPTGS2GSK3AGSK3B
SCHEMBL7839833 0.78 NAPRT (0.47) NAPRTBCHEPTGS2ALOX15ALDH1A1
Antipyrine SCHEMBL18260589 0.77 NAPRT (0.96) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL8995343 0.77 NAPRT (0.96) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL8736656 0.77 NAPRT (0.96) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL7020007 0.77 NAPRT (0.96) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL28445203 0.77 NAPRT (0.96) NAPRTBCHEPTGS2GSK3AGSK3B
Antipyrine SCHEMBL9845605 0.77 NAPRT (0.96) NAPRTBCHEPTGS2GSK3AGSK3B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1733713-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent OREAL (FR) 2010-06-02 EP disclosed
EP-1733716-B1 Composition for dyeing keratin fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a coupling agent and an associative polyurethane polymer OREAL (FR) 2010-05-19 EP disclosed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
US-7642360-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. (FR) 2010-01-05 US disclosed
US-7582121-B2 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2009-09-01 US disclosed
US-7582121-B2 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2009-09-01 US disclosed
US-7488355-B2 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol L'OREAL S.A. (FR) 2009-02-10 US disclosed
US-7488355-B2 Composition for dyeing keratin fibers, comprising a diamino-N,N-dihydropyrazolone compound, a coupler, and a polyol L'OREAL S.A. (FR) 2009-02-10 US disclosed
US-7488356-B2 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant L'OREAL S.A. (FR) 2009-02-10 US disclosed
US-7488356-B2 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one surfactant L'OREAL S.A. (FR) 2009-02-10 US disclosed
US-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL S.A. 2008-03-20 US disclosed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US disclosed
US-7285137-B2 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative L'OREAL, S.A. (FR) 2007-10-23 US disclosed
EP-1764082-A2 4-5-diamino-N,N-dihydro-pyrazol-3-one derivatives for use in composition for dyeing keratin fibres L'OREAL (FR) 2007-03-21 EP disclosed
US-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2007-01-11 US disclosed
US-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye L'OREAL S.A. (FR) 2007-01-11 US disclosed
EP-0839144-B1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL GMBH (DE) 2001-09-19 EP disclosed
US-6114334-A CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0839144-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003067-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 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 (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-20080071092-A1 Composition for dyeing keratinous fibers comprising at least one diamino-N,N-dihydropyrazolone derivative KRT18, DAO, AOC1 NAPRT 355/4885BCHE 4070/4885PTGS2 3947/4885
US-20070006398-A1 Composition for dyeing keratin fibers, comprising at least one diamino-N,N-dihydropyrazolone derivative, at least one coupler, and at least one heterocyclic direct dye KRT18, DSP, DSG1 NAPRT 777/4885BCHE 4047/4885PTGS2 4258/4885

“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.