SCHEMBL13286137

SCHEMBL13286137

O=CNCCN1CNC(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 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
SCHEMBL4480059 0.83 SMN1; SMN2 (0.39) GNAI3GNAO1GNAI1ALDH1A1THRB
SCHEMBL1307437 0.73 SMN1; SMN2 (0.37) THRBADH1BADH1AADH7
SCHEMBL12534280 0.71
SCHEMBL13478087 0.70 HSD17B10 (0.38) KMT2AGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL2182415 0.69 HSD17B10 (0.48) KMT2AGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL14431493 0.69
SCHEMBL791167 0.68 KMT2A (0.37) KMT2AALDH1A1
SCHEMBL13522685 0.68 KMT2A (0.35) KMT2AALDH1A1THRB
SCHEMBL27755179 0.67 SORT1 (0.41) KMT2AALDH1A1THRB
SCHEMBL8029443 0.67 ALOX5 (0.41) GNAI3GNAO1GNAI1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166844-A1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD L'OREAL S.A. (FR) 2010-07-01 US disclosed
US-20090202465-A1 Neutralised cationic polymer, composition containing said polymer and a cosmetic treatment method L'OREAL S.A. (FR) 2009-08-13 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 (2 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-20090202465-A1 Neutralised cationic polymer, composition containing said polymer and a cosmetic treatment method KRT18, EYA3, PHOSPHO1 KMT2A 935/4885GNAI3 3901/4885GNAO1 4311/4885
US-20100166844-A1 POLYMER PARTICLE DISPERSION, COMPOSITION CONTAINING THE SAME AND COSMETIC TREATMENT METHOD KRT18, KRTCAP2, DSG1 KMT2A 1629/4885GNAI3 4653/4885GNAO1 4633/4885

“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.