SCHEMBL5926518

SCHEMBL5926518

O=C(O)CC(NC(=O)c1cc(Br)ccc1OCc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.47
▸ CTSA P10619 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.41
▸ EGLN2 Q96KS0 2/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.40
▸ POLB P06746 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
SCHEMBL5927547 0.97 LRRK2 (0.47) LRRK2LMNAALDH1A1MAPK1FFAR4
SCHEMBL5926827 0.97 LRRK2 (0.47) LRRK2LMNAALDH1A1MAPK1FFAR4
SCHEMBL5927061 0.97 LRRK2 (0.50) LRRK2CTSALMNAALDH1A1MAPK1
SCHEMBL5927121 0.94 RXRA (0.46) LRRK2LMNAALDH1A1MAPK1
SCHEMBL5927429 0.94 LRRK2 (0.47) LRRK2CTSALMNAALDH1A1MAPK1
SCHEMBL5926635 0.93 MMP12 (0.49) LRRK2LMNAALDH1A1MAPK1FFAR4
SCHEMBL3993208 0.92 KIFC1 (0.45) LRRK2CTSALMNAALDH1A1MAPK1
SCHEMBL3996604 0.92 LRRK2 (0.45) LRRK2LMNAALDH1A1MAPK1
SCHEMBL5926981 0.92 PTGS2 (0.46) LRRK2LMNAALDH1A1MAPK1
SCHEMBL5927500 0.90 LRRK2 (0.51) LRRK2CTSALMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — 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 (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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 LRRK2 638/4885CTSA 426/4885LMNA 178/4885

“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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