SCHEMBL5154671

SCHEMBL5154671

NC1=NC(=O)c2c(CO)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PARP1 P09874 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
HTR2B P41595 2/20 0.32
ADORA2A P29274 2/20 0.32
GPR68 Q15743 1/20 0.32
ATR Q13535 1/20 0.32
CHRNE Q04844 1/20 0.31
TYMS P04818 2/20 0.31
HTR7 P34969 1/20 0.31
PTPRC P08575 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL7584603 0.77 PDCD1 (0.43) PDK2PDCD1CD274PARP1MAPT
SCHEMBL5155563 0.74 CA1 (0.43) KDM4EMAPTHTTRECQLTYMS
SCHEMBL5151733 0.73 ADORA2A (0.42) KDM4EMAPTHTTRECQLADORA2A
SCHEMBL23197979 0.67 APOBEC3G (0.48) PDK2PDCD1CD274KDM4EMAPT
SCHEMBL3789301 0.67 ALDH1A1 (0.46) PDK2PDCD1CD274HTR2BADORA2A
SCHEMBL5350497 0.67 MAPT (0.52) PDK2PDCD1CD274KDM4EMAPT
SCHEMBL31192517 0.67 ALOX15 (0.44) PDK2PDCD1CD274MMP2MMP3
SCHEMBL431678 0.67 MEN1 (0.53) PDK2KDM4EMAPTHTTRECQL
SCHEMBL31192520 0.67 ALOX15 (0.44) PDK2PDCD1CD274MMP2MMP3
SCHEMBL5347523 0.67 KEAP1 (0.50) PDK2PDCD1CD274KDM4EMAPT

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 22 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
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 disclosed
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 disclosed
EP-1056435-B9 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2007-01-10 EP disclosed
EP-1056435-B1 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2006-06-28 EP disclosed
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 disclosed
EP-1073407-B1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES OREAL (FR) 2005-04-20 EP disclosed
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 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-1056433-A1 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 (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-2000038638-A1 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 (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 (1 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 PDK2 157/4885PDCD1 1023/4885CD274 2096/4885

“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.