SCHEMBL5926431

SCHEMBL5926431

COC(=O)CC(NC(=O)c1cc(Br)ccc1OCCCCc1ccccc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ PDE4A P27815 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4C Q08493 3/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ACACB O00763 4/20 0.41
▸ ACACA Q13085 3/20 0.41
▸ TACR3 P29371 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ DCAF1 Q9Y4B6 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL5926932 0.99 MEN1 (0.42) MEN1KMT2APOLBLRRK2PDE4A
SCHEMBL5927222 0.93 CTSA (0.44) MEN1KMT2APOLBLRRK2PDE4A
SCHEMBL5926489 0.92 CTSA (0.43) MEN1KMT2APOLBLRRK2PDE4A
SCHEMBL5926569 0.86 LRRK2 (0.51) MEN1KMT2APOLBLRRK2ACACB
SCHEMBL5926604 0.85 PTPN11 (0.47) MEN1KMT2APOLBNPSR1TACR3
SCHEMBL5926567 0.85 FFAR4 (0.42) MEN1KMT2APOLBLRRK2NPSR1
SCHEMBL5926426 0.84 HDAC1 (0.46) LRRK2PDE4APDE4BPDE4CPDE4D
SCHEMBL5926503 0.84 FFAR4 (0.41) MEN1KMT2APOLBLRRK2PDE4A
SCHEMBL5927501 0.84 FFAR4 (0.41) MEN1KMT2APOLBLRRK2PDE4A
SCHEMBL5926927 0.84 HDAC1 (0.48) LRRK2PDE4APDE4BPDE4CPDE4D

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 MEN1 3448/4885KMT2A 2112/4885POLB 3935/4885

“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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