SCHEMBL1996936

SCHEMBL1996936

O=[N+]([O-])c1c(NCCCO)ccc(NCCO)c1NCCO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 4/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
GSTM2 P28161 1/20 0.44
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42
KAT2B Q92831 1/20 0.42
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL209618 0.94 RAB9A (0.58) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL9372411 0.85 RAB9A (0.53) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL9771638 0.81 KAT2B (0.56) ALDH1A1TSHRTDP1KMT2AMAPT
SCHEMBL3184571 0.81 RAB9A (0.52) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL29452912 0.81 RAB9A (0.52) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL1815585 0.80 RAB9A (0.49) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL5912889 0.80 RAB9A (0.49) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL16210829 0.78 RAB9A (0.47) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL4619073 0.77 KAT2B (0.51) RAB9AALDH1A1TSHRTDP1KMT2A
Hydrochloric Acid SCHEMBL5063788 0.76 KAT2B (0.54) RAB9AALDH1A1TSHRTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2337544-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE Living Proof, Inc. (US) 2011-06-29 EP disclosed
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. 2009-03-12 US disclosed
WO-2008134712-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. (US) 2008-11-06 WO disclosed
EP-0898954-A2 Composition for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1999-03-03 EP 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-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE MMP1, MMP9, MMP17 RAB9A 1437/4885ALDH1A1 2338/4885TSHR 2597/4885

“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.