SCHEMBL12795352

SCHEMBL12795352

Cc1nsc(/N=N/C2=C(O)c3ccccc3S2(=O)=O)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR3 P46089 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
KDR P35968 1/20 0.31
HSD11B1 P28845 1/20 0.30
ABCB11 O95342 1/20 0.30
GLA P06280 1/20 0.30
EDNRA P25101 1/20 0.30
PTGES O14684 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
SCHEMBL12795337 0.73 MAPK1 (0.36) MEN1KMT2AHSD17B10LMNA
SCHEMBL14434940 0.66 KMT2A (0.48) MEN1KMT2AHSD17B10LMNA
SCHEMBL14373813 0.66 MAPT (0.45) MEN1KMT2AGPR3GAAESR1
SCHEMBL10216422 0.65 GPR3 (0.54) MEN1KMT2AGPR3ESR1ESR2
SCHEMBL12521442 0.62 ERN1 (0.47) MEN1KMT2AUSP2
SCHEMBL10101672 0.62
SCHEMBL3837964 0.61 APP (0.52) MEN1KMT2AHSD17B10
SCHEMBL13646677 0.61 KMT2A (0.34) MEN1KMT2AGAALMNA
SCHEMBL22650231 0.58 GPR3 (0.54) MEN1KMT2AGPR3ESR1ESR2
SCHEMBL31533451 0.58 HTR2B (0.47) MEN1KMT2AGAAHSD17B10

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 MEN1 2614/4885KMT2A 493/4885GPR3 1551/4885

“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.