SCHEMBL3905741

SCHEMBL3905741

O=C1NC(=O)c2ccc(N=Cc3ccncc3)c3cccc1c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 3/20 0.46
PARP1 P09874 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RGS12 O14924 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
APEX1 P27695 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
MTOR P42345 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL3890952 1.00 CISD1 (0.46) CISD1PARP1MEN1MAPTKMT2A
SCHEMBL9010771 0.88 MAPT (0.49) CISD1PARP1MEN1MAPTKMT2A
SCHEMBL5711637 0.78 MEN1 (0.40) CISD1PARP1MEN1MAPTKMT2A
SCHEMBL4633743 0.78 MEN1 (0.40) CISD1PARP1MEN1MAPTKMT2A
Bromide SCHEMBL3890946 0.77 MEN1 (0.39) CISD1PARP1MEN1MAPTKMT2A
Bromide SCHEMBL3890949 0.77 MEN1 (0.39) CISD1PARP1MEN1MAPTKMT2A
SCHEMBL28152737 0.77 MEN1 (0.59) CISD1PARP1MEN1MAPTKMT2A
SCHEMBL21652635 0.75 ALDH1A1 (0.48) MEN1MAPTKMT2AUSP2POLB
SCHEMBL19241696 0.72 CHAT (0.35) MEN1MAPTKMT2AUSP2POLB
SCHEMBL14323672 0.69 MEN1 (0.53) CISD1PARP1MEN1MAPTKMT2A

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
US-7553336-B2 Brightening direct dyes for keratin fibers and colorants containing these compounds WELLA AG (DE) 2009-06-30 US disclosed
US-7544215-B2 Neutral and cationic naphthalene and colorants for keratin fibers containing these compounds WELLA AG (DE) 2009-06-09 US disclosed
US-20070151046-A1 Neutral and cationic naphthalene and colorants for keratin fibers containing these compounds Wella GmbH (DE) 2007-07-05 US disclosed
US-20070119000-A1 Brightening direct dyes for keratin fibers and colorants containing these compounds WELLA AG (DE) 2007-05-31 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-20070119000-A1 Brightening direct dyes for keratin fibers and colorants containing these compounds KRT18, MKI67, TUBB1 CISD1 570/4885PARP1 1120/4885MEN1 1644/4885
US-20070151046-A1 Neutral and cationic naphthalene and colorants for keratin fibers containing these compounds KRT18, NUP205, KPNA1 CISD1 1178/4885PARP1 1586/4885MEN1 2181/4885

“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.