SCHEMBL13799552

SCHEMBL13799552

CN(C)CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.45
HAVCR2 Q8TDQ0 1/20 0.45
TDP1 Q9NUW8 5/20 0.42
TERT O14746 1/20 0.42
TOP2A P11388 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAD52 P43351 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
XDH P47989 2/20 0.38
HTR6 P50406 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RXRA P19793 1/20 0.38
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13799553 0.93 MPO (0.47) MPOTDP1TOP2ARAD52MEN1
SCHEMBL13799551 0.83 TDP1 (0.57) TDP1KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14306505 0.83 GPR3 (0.39) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10154408 0.82 CASP3 (0.43) TDP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29366177 0.81 TDP1 (0.51) TDP1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL559250 0.81 TDP1 (0.51) TDP1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL11974069 0.81 GPR3 (0.45) TDP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4600442 0.80 ALDH1A1 (0.60) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL30782383 0.80 CYP2D6 (0.47) MPOTDP1TOP2ARAD52ALDH1A1
SCHEMBL13589109 0.79 L3MBTL1 (0.36) TDP1KDM4ESMN1; SMN2MEN1KMT2A

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-7541463-B2 Sulfur-containing naphthalimide derivatives EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2009-06-02 US disclosed
US-7541463-B2 Sulfur-containing naphthalimide derivatives EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2009-06-02 US disclosed
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES QIAN XUHONG 2008-09-25 US disclosed
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES QIAN XUHONG 2008-09-25 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-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES HCCS, SQOR, MKI67 MPO 1320/4885HAVCR2 1444/4885TDP1 4749/4885

“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.