SCHEMBL5016486

SCHEMBL5016486

COc1cccc(OC)c1C1=C2C=CC(=N2)C(c2c(Br)cccc2Br)=C2C=CC(=N2)C(c2c(OC)cccc2OC)=C2C=CC(=N2)C(c2c(Br)cccc2Br)=C2C=CC1=N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.35
▸ LY96 Q9Y6Y9 1/20 0.33
▸ NQO2 P16083 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL26676737 0.91 TOP1 (0.41) TOP1NQO2SMN1; SMN2LMNAMAPT
SCHEMBL5016673 0.82 FABP4 (0.42) TOP1SMN1; SMN2LMNAMAPTCA12
SCHEMBL5011965 0.82 FABP4 (0.42) TOP1SMN1; SMN2LMNAMAPTCA12
SCHEMBL5015257 0.80 CYP1A1 (0.39) SMN1; SMN2MAPTHPGDL3MBTL1KDM4E
SCHEMBL5013913 0.76 — —
SCHEMBL5013036 0.76 RAPGEF4 (0.30) —
SCHEMBL5015205 0.72 KIF11 (0.33) KDM4EALDH1A1
SCHEMBL4265254 0.72 CYP1A2 (0.41) SMN1; SMN2LMNAMAPTHPGDMAPK1
SCHEMBL10570890 0.72 ALDH1A1 (0.44) SMN1; SMN2LMNAHPGDMAPK1CA12
SCHEMBL5568763 0.72 CA1 (0.48) TOP1LY96SMN1; SMN2LMNAMAPT

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-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 — — US disclosed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG TOP1 1268/4885LY96 3902/4885NQO2 4486/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS TOP1 1564/4885LY96 3137/4885NQO2 3280/4885

“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.

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