SCHEMBL4593896

SCHEMBL4593896

O=C(NCC1CC(=O)N(c2ccc(-n3ccccc3=O)cc2)C1)c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.52
▸ PAK1 Q13153 1/20 0.41
▸ USP2 O75604 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ FAAH O00519 3/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ GSK3A P49840 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
SCHEMBL5641461 0.90 HRH4 (0.44) USP30PAK1MAPTGAALMNA
SCHEMBL4593714 0.83 SCN4A (0.47) ALDH1A1GAAF10
SCHEMBL4587434 0.80 CTSL (0.46) MTNR1AMTNR1BF10
SCHEMBL5643192 0.80 CNR1 (0.54) PAK1MAPTCNR2ALDH1A1LMNA
SCHEMBL5639086 0.79 USP30 (0.47) USP30USP2POLBMAPTSMYD3
SCHEMBL4587149 0.78 F10 (0.44) F10
SCHEMBL4586927 0.77 F10 (0.48) IDO1HDAC3HDAC1HDAC2F10
SCHEMBL5638193 0.77 F10 (0.58) F10
SCHEMBL4586501 0.77 KLKB1 (0.39) PAK1SMYD3F10
SCHEMBL4594684 0.77 F10 (0.55) LMNAF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 — — EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 — — EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — WO 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 USP30 2389/4885PAK1 792/4885USP2 1599/4885

“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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