SCHEMBL12795337

SCHEMBL12795337

Cc1nsc(/N=N/C2=C(O)c3ccccc3C2=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 7/20 0.35
NPC1 O15118 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
PKM P14618 1/20 0.35
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
NR4A1 P22736 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL17029699 0.83 ALDH1A1 (0.36) MAPK1TSHRAPAF1TDP2POLB
SCHEMBL12795355 0.83 TSHR (0.39) MAPK1TSHRAPAF1TDP2POLB
SCHEMBL12795352 0.73 MEN1 (0.34) MEN1KMT2AHSD17B10LMNA
SCHEMBL12034185 0.71 ALDH1A1 (0.39) MAPK1TSHRAPAF1TDP2POLB
SCHEMBL16601906 0.70 APAF1 (0.39) MAPK1TSHRAPAF1TDP2POLB
SCHEMBL12034181 0.70 TDP2 (0.41) MAPK1TSHRAPAF1TDP2POLB
SCHEMBL12034125 0.69 ALDH1A1 (0.38) MAPK1TSHRAPAF1TDP2POLB
SCHEMBL3837964 0.66 APP (0.52) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL12521442 0.64 ERN1 (0.47) MAPK1POLBMEN1KMT2ARAB9A
SCHEMBL12034289 0.63 ALDH1A1 (0.37) MAPK1TSHRAPAF1TDP2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7896931-B2 Hair dye composition KAO CORPORATION (JP) 2011-03-01 US disclosed
US-7896931-B2 Hair dye composition KAO CORPORATION (JP) 2011-03-01 US disclosed
US-20100146716-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-17 US disclosed
US-20100146716-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-17 US disclosed
WO-2009005139-A2 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2009-01-08 WO 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-20100146716-A1 HAIR DYE COMPOSITION ARSA, H1-4, H1-0 MAPK1 3519/4885TSHR 675/4885APAF1 4631/4885

“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.