SCHEMBL4873496

SCHEMBL4873496

O=C1C(Cl)=C(Nc2ccc(O)cc2)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
RAB9A P51151 9/20 1.00
HTT P42858 9/20 1.00
MAPK1 P28482 8/20 1.00
NPSR1 Q6W5P4 7/20 1.00
NPC1 O15118 5/20 1.00
GAA P10253 3/20 1.00
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
LMNA P02545 5/20 0.74
MITF O75030 4/20 0.74
ATM Q13315 4/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
XBP1 P17861 1/20 0.74
L3MBTL1 Q9Y468 5/20 0.69
CDC25A P30304 4/20 0.69
CDC25B P30305 3/20 0.69
HK1 P19367 1/20 0.69
CDC25C P30307 1/20 0.69
HKDC1 Q2TB90 1/20 0.69

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
SCHEMBL32664539 0.86 MAPT (0.79) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL29633261 0.85 MAPT (1.00) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL6506683 0.85 MAPT (1.00) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL7240445 0.83 MAPT (0.74) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL8663288 0.83 MAPT (0.74) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL4868219 0.83 MAPT (1.00) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL31612179 0.81 PTPN6 (1.00) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL6506775 0.81 PTPN6 (1.00) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL12283294 0.80 MAPT (0.71) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL8855921 0.79 MAPT (0.68) MAPTRAB9AHTTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513437-B2 Pyrrolidino-1,4-naphthoquinone deriviatives and their use for treating malignancies and cardiovascular diseases BEN GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IS) 2013-08-20 US disclosed
US-20080300274-A1 Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases BEN GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2008-12-04 US disclosed
WO-2006011136-A9 NOVEL NAPHTHOQUINONE DERIVATIVES AND USES THEREOF VELOPMENT AUTHORITY BEN GURION (IL) 2006-04-27 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 (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-20080300274-A1 Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases MAPK1, MAP3K1, MAP3K20 MAPT 3144/4885RAB9A 1585/4885HTT 3500/4885

“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.