SCHEMBL851063

SCHEMBL851063

CCOC(=N)c1ccc(Oc2cc(OCc3ccc(Br)cc3)cc(C(=O)N3CCN(C(=O)OCC)CC3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 3/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ ST14 Q9Y5Y6 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ TNF P01375 1/20 0.44

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
SCHEMBL851553 0.92 ST14 (0.56) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL860492 0.92 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL861362 0.91 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL852098 0.87 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL852072 0.85 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL851452 0.84 ST14 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL850889 0.84 PRSS1 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL852003 0.81 PRSS1 (0.66) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL851821 0.80 GAA (0.52) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL851627 0.78 ALDH1A1 (0.59) ALDH1A1GAASMN1; SMN2KMT2AMEN1

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
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 — — US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 — — US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 — — US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 — — EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 — — 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885GAA 294/4885SMN1; SMN2 2076/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885GAA 294/4885SMN1; SMN2 2076/4885

“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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