SCHEMBL18674604

SCHEMBL18674604

O=C(O)CCN(CCC(=O)O)c1nc(-c2ccccc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 4/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 5/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
CPB1 P15086 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 2/20 0.48
GRM1 Q13255 1/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL18674657 0.92 KMT2A (0.53) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL17266300 0.89 KMT2A (0.52) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL18674592 0.86 KMT2A (0.55) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3452661 0.84 TSHR (0.52) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL18674654 0.83 KMT2A (0.51) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL18674594 0.81 RAB9A (0.54) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL18674587 0.81 GSTO1 (0.57) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL13109423 0.80 KMT2A (0.53) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL18674583 0.80 GSTO1 (0.60) GSTO1KMT2AMEN1L3MBTL1TSHR
SCHEMBL13109449 0.79 RAB9A (0.41) GSTO1KMT2AMEN1L3MBTL1TSHR

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-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US claimed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 GSTO1 3177/4885KMT2A 561/4885MEN1 3239/4885

“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.