SCHEMBL5370259

SCHEMBL5370259

N=C1N=C(N)c2c1cccc2S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
STAT3 P40763 1/20 0.35
GNG2 P59768 4/20 0.33
GNB1 P62873 4/20 0.33
PGAM1 P18669 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
DDX3X O00571 1/20 0.33
DAPK1 P53355 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
P2RY4 P51582 1/20 0.32

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
SCHEMBL5369333 0.82 TTR (0.42) TTRALDH1A1HSD17B10HPGDHIF1A
SCHEMBL5158272 0.74 HPGD (0.47) ALDH1A1HSD17B10HPGDHIF1ATP53
SCHEMBL24631333 0.72 TTR (0.47) TTRALDH1A1HSD17B10HPGDSTAT3
SCHEMBL24631331 0.72 TTR (0.47) TTRALDH1A1HSD17B10HPGDSTAT3
SCHEMBL5155278 0.70 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDHIF1ATP53
SCHEMBL30011676 0.69 TTR (0.55) TTRALDH1A1HPGDGNG2GNB1
SCHEMBL1270794 0.69 STAT3 (0.58) TTRALDH1A1HSD17B10HPGDHIF1A
SCHEMBL9558885 0.69 TTR (0.64) TTRALDH1A1HSD17B10HPGDAURKA
SCHEMBL11062566 0.68 ADORA2A (0.57) TTRALDH1A1HSD17B10HPGDSTAT3
SCHEMBL2294438 0.68 ADORA2A (0.61) TTRALDH1A1HPGDSTAT3GNG2

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 10 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
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
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-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

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 TTR 3199/4885ALDH1A1 83/4885HSD17B10 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.