SCHEMBL548016

SCHEMBL548016

N=C1N=C(N)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
TP53 P04637 1/20 0.63
HPGD P15428 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
HBB P68871 1/20 0.63
HIF1A Q16665 1/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 6/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL31070859 0.78 ALDH1A1 (1.00) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL4959533 0.78 ALDH1A1 (1.00) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL29361271 0.78 ALDH1A1 (1.00) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL5155830 0.75 ALDH1A1 (0.57) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL8577974 0.74 LMNA (0.48) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL5155631 0.72 ALDH1A1 (0.44) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL5174153 0.72 ALDH1A1 (0.53) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL5151796 0.72 ALDH1A1 (0.44) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL5151747 0.72 ALDH1A1 (0.53) ALDH1A1TP53HPGDCASP1CASP7
SCHEMBL5155278 0.70 ALDH1A1 (0.43) ALDH1A1TP53HPGDCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120702-A Color marking laser marking material and preparation method and application thereof 金发科技股份有限公司 2023-05-16 CN claimed
EP-2371219-A1 Herbicidal acylhydrazides BASF SE (DE) 2011-10-05 EP claimed
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-7204857-B1 Dyeing method using a specific active methylene compound 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) 2007-04-17 US claimed
EP-1056433-B1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE OREAL (FR) 2005-05-11 EP 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
JP-10175831-A None JP disclosed
WO-2023060210-A9 MOLECULES, AND RELATED ASSAYS, TEST KITS AND METHODS SAPPHIRE BIOTECH, INC. (US) 2024-04-18 WO disclosed
US-11789020-B2 Neutralizing antibody testing and treatment SAPPHIRE BIOTECH, INC. (US) 2023-10-17 US disclosed
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 US disclosed
US-20230251256-A1 MOLECULES, AND RELATED ASSAYS, TEST KITS AND METHODS SAPPHIRE BIOTECH, INC. 2023-08-10 US 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
JP-H10175831-A USE OF DIIMINOISOINDOLE DERIVATIVE OR 3-AMINOINDOLE DERIVATIVE FOR KERATIN DYEING AND COMPOSITION FOR DYEING CONTAINING THE SAME L'OREAL SA 1998-06-30 JP 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
EP-0132818-B1 ISOINDOLINE PIGMENTS HAVING A STRONG COLOURING CAPACITY, THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1986-12-30 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-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 ALDH1A1 83/4885TP53 4109/4885HPGD 125/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 ALDH1A1 4502/4885TP53 1247/4885HPGD 1185/4885

“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.