SCHEMBL13025232

SCHEMBL13025232

c1ccc2sc(N=NNc3nc4ccccc4s3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.54
SMN1; SMN2 Q16637 10/20 0.54
NPC1 O15118 10/20 0.54
RAB9A P51151 10/20 0.54
NFKB1 P19838 5/20 0.54
NFKB2 Q00653 5/20 0.54
RELA Q04206 5/20 0.54
PKM P14618 1/20 0.54
IDO1 P14902 1/20 0.53
GAA P10253 11/20 0.52
KMT2A Q03164 10/20 0.52
MEN1 O00255 9/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49

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
SCHEMBL8767775 0.84 NPC1 (0.54) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL1506734 0.80 INSR (0.65) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL31314986 0.80 INSR (0.65) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28555429 0.76 INSR (0.47) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL22331496 0.76 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL11511649 0.76 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL19757181 0.75 SNCA (0.49) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6655466 0.74 HPGD (0.54) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28234601 0.74 INSR (0.54) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL3112891 0.73 NPC1 (0.78) MAPTSMN1; SMN2NPC1RAB9ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148647-B1 HAIR DYE COMPOSITION KAO CORP (JP) 2016-04-06 EP disclosed
US-7824449-B2 Hair dye composition KAO CORPORATION (JP) 2010-11-02 US disclosed
US-7824449-B2 Hair dye composition KAO CORPORATION (JP) 2010-11-02 US disclosed
US-20100115710-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-05-13 US disclosed
US-20100115710-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-05-13 US disclosed
WO-2008139985-A2 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2008-11-20 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-20100115710-A1 HAIR DYE COMPOSITION SAT1, S100B, NAT1 MAPT 2862/4885SMN1; SMN2 4246/4885NPC1 2905/4885

“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.