SCHEMBL5926396

SCHEMBL5926396

COC(=O)CC(NC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc(-c2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.52
▸ POLB P06746 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ TACR3 P29371 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 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
SCHEMBL5927090 0.97 LRRK2 (0.49) LRRK2POLBMEN1KMT2ALMNA
SCHEMBL5926748 0.94 LRRK2 (0.49) LRRK2POLBMEN1KMT2ALMNA
SCHEMBL3989321 0.93 LRRK2 (0.45) LRRK2POLBMEN1KMT2ALMNA
SCHEMBL5927357 0.93 LRRK2 (0.45) LRRK2POLBMEN1KMT2ATACR3
SCHEMBL5927061 0.93 LRRK2 (0.50) LRRK2POLBLMNAALDH1A1KDM4E
SCHEMBL5926374 0.92 LRRK2 (0.44) LRRK2POLBMEN1KMT2ATACR3
SCHEMBL5926712 0.90 POLB (0.42) LRRK2POLBMEN1KMT2ALMNA
SCHEMBL5927547 0.90 LRRK2 (0.47) LRRK2POLBLMNAALDH1A1MAPK1
SCHEMBL5926518 0.89 LRRK2 (0.47) LRRK2POLBLMNAALDH1A1MAPK1
SCHEMBL5926827 0.89 LRRK2 (0.47) LRRK2POLBLMNAALDH1A1MAPK1

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 2 patents. 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
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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 638/4885POLB 3935/4885MEN1 3448/4885

“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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