SCHEMBL5015417

SCHEMBL5015417

FC(F)(F)c1ccc(C2=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC(=N3)C(c3ccc(C(F)(F)F)cc3)=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC2=N3)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.35
▸ ENPP1 P22413 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CLK1 P49759 2/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5015205 0.86 KIF11 (0.33) KIF11
SCHEMBL5015183 0.82 FABP4 (0.38) —
SCHEMBL1792650 0.77 RXRA (0.32) KIF11
SCHEMBL5013913 0.76 — —
SCHEMBL5015198 0.76 MAPT (0.38) CLK1CDK5CDK5R1SMN1; SMN2
SCHEMBL5015257 0.71 CYP1A1 (0.39) SMN1; SMN2
SCHEMBL14657716 0.70 — —
SCHEMBL5013036 0.70 RAPGEF4 (0.30) —
SCHEMBL5016486 0.70 TOP1 (0.35) SMN1; SMN2
SCHEMBL5011952 0.67 — —

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 KIF11 3643/4885ENPP1 2729/4885BACE1 4333/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS KIF11 4298/4885ENPP1 504/4885BACE1 3487/4885

“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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