SCHEMBL6526969

SCHEMBL6526969

O=C(O)[C@H](O)[C@@H](O)C(=O)N(CCCl)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
CYP3A4 P08684 3/20 0.38
HIF1A Q16665 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
MAPT P10636 2/20 0.38
PMP22 Q01453 2/20 0.38
ABCB11 O95342 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL2477346 0.88 KMT2A (0.42) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL6517580 0.85 BCL2A1 (0.41) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL6521363 0.85 CYP3A4 (0.38) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL6525038 0.82 MLYCD (0.38) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL6520843 0.82 MLYCD (0.40) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL1950109 0.81 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNACYP3A4KMT2A
SCHEMBL6521794 0.80 KMT2A (0.41) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL6519394 0.79 SERPINE1 (0.44)
SCHEMBL6519022 0.76 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL1950111 0.75 MLYCD (0.35) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885SMN1; SMN2 1538/4885LMNA 95/4885

“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.