SCHEMBL5155278

SCHEMBL5155278

N=C1N=C(N)c2c(Cl)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
NUDT1 P36639 3/20 0.36
LMNA P02545 2/20 0.34
NR4A2 P43354 1/20 0.34
ADORA2A P29274 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SRC P12931 3/20 0.34
FGFR1 P11362 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAOA P21397 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5158272 0.77 HPGD (0.47) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL5155548 0.77 ADORA2A (0.42) ALDH1A1HPGDHSD17B10LMNAADORA2A
SCHEMBL5157882 0.75 TP53 (0.39) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL5370259 0.70 TTR (0.41) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL5155520 0.70 S100A4 (0.50) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL548016 0.70 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL5155274 0.69 MCHR1 (0.45) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL5155766 0.69 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10TP53CASP1
SCHEMBL5151733 0.69 ADORA2A (0.42) ALDH1A1HPGDHSD17B10LMNAADORA2A
SCHEMBL5155780 0.67 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10TP53CASP1

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 18 patents. 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
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 disclosed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 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
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 ALDH1A1 83/4885HPGD 125/4885HSD17B10 167/4885

“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.