SCHEMBL5157756

SCHEMBL5157756

CN1C(=N)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.59
TTR P02766 1/20 0.47
CES1 P23141 1/20 0.47
NR1H3 Q13133 4/20 0.42
APP P05067 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 2/20 0.41
GLS O94925 1/20 0.41
POLB P06746 1/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL29511191 0.83 CASP3 (0.81) CASP3TTRCES1NR1H3APP
SCHEMBL28263 0.83 CASP3 (0.81) CASP3TTRCES1NR1H3APP
SCHEMBL14887957 0.83 CASP3 (0.41) CASP3TTRCES1POLBCA2
Hydrogen Sulfide SCHEMBL11121709 0.80 CASP3 (0.77) CASP3TTRCES1APPMEN1
Hydrogen Sulfide SCHEMBL11098631 0.80 CASP3 (0.77) CASP3TTRCES1APPMEN1
SCHEMBL29025703 0.80 CASP3 (0.77) CASP3TTRCES1NR1H3APP
Water SCHEMBL9398503 0.80 CASP3 (0.77) CASP3TTRCES1NR1H3APP
Hydrochloric Acid SCHEMBL7736926 0.80 CASP3 (0.77) CASP3TTRCES1NR1H3APP
Iodide SCHEMBL30725965 0.80 CASP3 (0.77) CASP3TTRCES1NR1H3APP
SCHEMBL19450565 0.78 ERCC1 (0.53) CES1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP claimed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 EP claimed
EP-3227376-B1 HIGH MELT FLOW POLYETHERIMIDE-SILOXANE COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES MADE THEREFROM SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-03-13 EP disclosed
US-20130102627-A1 Acridines As Inhibitors Of Haspin And DYRK Kinases THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-04-25 US disclosed
WO-2013026890-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-02-28 WO disclosed
US-7704961-B2 Avermectins and avermectin monosacharides substituted in the 4′-and 4″ position having pesticidal properties MERIAL LIMITED (US) 2010-04-27 US disclosed
US-7704961-B2 Avermectins and avermectin monosacharides substituted in the 4′-and 4″ position having pesticidal properties MERIAL LIMITED (US) 2010-04-27 US disclosed
US-20080194498-A1 Miticides and nematocides well-tolerated by livestock and domestic animals; effective against pesticide-resistant pests; protection for plant propagation material MERIAL, INC. 2008-08-14 US disclosed
US-20080194498-A1 Miticides and nematocides well-tolerated by livestock and domestic animals; effective against pesticide-resistant pests; protection for plant propagation material MERIAL, INC. 2008-08-14 US disclosed
EP-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
EP-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed
US-6077320-A DYEING HAIR WITHOUT AN OXIDIZER BY REACTION OF HAIR DYE WITH A PRIMARY OR SECONDARY AMINE-FUNCTIONAL COMPOUND IN THE DYE MEDIUM L'OREAL (FR) 2000-06-20 US disclosed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP disclosed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 CASP3 1022/4885TTR 3199/4885CES1 3158/4885
US-20080194498-A1 Miticides and nematocides well-tolerated by livestock and domestic animals; effective against pesticide-resistant pests; protection for plant propagation material ZYX, MTX1, CHRM1 CASP3 86/4885TTR 1837/4885CES1 198/4885
US-20130102627-A1 Acridines As Inhibitors Of Haspin And DYRK Kinases HASPIN, MAP3K6, DAPK2 CASP3 4039/4885TTR 4565/4885CES1 2843/4885

“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.