SCHEMBL4077252

SCHEMBL4077252

Nc1cc2c3c(cccc3c1S)C(=O)OC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.49
KMT2A Q03164 7/20 0.40
USP2 O75604 6/20 0.40
MEN1 O00255 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
RGS12 O14924 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PARP1 P09874 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
MTOR P42345 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 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
SCHEMBL1133922 0.83 TYMS (0.51) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL29836499 0.80 TYMS (0.49) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL7709571 0.80 TYMS (0.57) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL29556131 0.77 USP2 (0.65) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL30516566 0.77 USP2 (0.65) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL1025154 0.77 USP2 (0.65) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL7703712 0.75 TYMS (0.44) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL7709652 0.75 TYMS (0.64) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL7709795 0.73 HKDC1 (0.65) TYMSKMT2AUSP2MEN1TDP1
SCHEMBL32869249 0.73 TYMS (0.61) TYMSKMT2AUSP2MEN1TDP1

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
EP-1626050-B1 SULFUR-CONTAINING NAPHTHOYLIMIDE DERIVATIVES UNIV EAST CHINA SCIENCE & TECH (CN) 2009-12-02 EP 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-20060111367-A1 Sulfur-containing naphthalimide derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCE (CN) 2006-05-25 US disclosed
EP-1626050-A1 SULFUR-CONTAINING NAPHTHOYLIMIDE DERIVATIVES East China University of Science and Technology (CN) 2006-02-15 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 (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-20060111367-A1 Sulfur-containing naphthalimide derivatives HCCS, SQOR, MKI67 TYMS 631/4885KMT2A 1942/4885USP2 1327/4885
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES HCCS, SQOR, MKI67 TYMS 631/4885KMT2A 1942/4885USP2 1327/4885

“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.