Naphthoquinone

Naphthoquinone

SCHEMBL2239482

O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
IDO1 P14902 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CDC25B P30305 1/20 0.36
AKT1 P31749 1/20 0.36
SNCA P37840 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PIN1 Q13526 1/20 0.36

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
Naphthalene SCHEMBL5328383 0.88 ALDH1A1 (0.59) ALDH1A1LMNATP53HSD17B10CYP3A4
Benzene SCHEMBL192784 0.86 ALDH1A1 (0.65) ALDH1A1LMNATP53HSD17B10CYP3A4
Benzene SCHEMBL5324108 0.86 ALDH1A1 (0.65) ALDH1A1LMNATP53HSD17B10CYP3A4
SCHEMBL22930 0.86 ALDH1A1 (0.69) ALDH1A1LMNATP53HSD17B10CYP3A4
SCHEMBL22931 0.86 ALDH1A1 (0.69) ALDH1A1LMNATP53HSD17B10CYP3A4
Biphenyl SCHEMBL5826366 0.85 ALDH1A1 (0.56) ALDH1A1LMNATP53HSD17B10CYP3A4
Folpet SCHEMBL11317169 0.85 ALDH1A1 (0.61) ALDH1A1LMNATP53HSD17B10CYP3A4
Captan SCHEMBL5586544 0.85 ALDH1A1 (0.61) ALDH1A1LMNATP53HSD17B10CYP3A4
SCHEMBL20395717 0.85 ALDH1A1 (0.67) ALDH1A1LMNATP53HSD17B10CYP3A4
Ammonia Solution, Strong SCHEMBL1006165 0.85 ALDH1A1 (0.67) ALDH1A1LMNATP53HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673910-B2 Proteasome inhibitors for selectively inducing apoptosis in cancer cells H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE (US) 2014-03-18 US disclosed
US-8466157-B2 Proteasome inhibitors having chymotrypsin-like activity UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-18 US disclosed
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-06-07 US disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
WO-2010102286-A2 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-09-10 WO disclosed
WO-2010005534-A2 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-01-14 WO 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-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS PSMB7, PSMD7, PSMB6 ALDH1A1 4279/4885LMNA 2096/4885TP53 47/4885
US-20120142917-A1 PROTEASOME INHIBITORS HAVING CHYMOTRYPSIN-LIKE ACTIVITY PSMB4, PSME4, PSMB1 ALDH1A1 3758/4885LMNA 1577/4885TP53 1183/4885

“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.