Sugi Predict

Sugi Predict / Compounds / SCHEMBL7904456

SCHEMBL7904456

SCHEMBL7904456

N=C1NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(C(=O)N5CCCC5)cc4)C3=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 12/20 0.53
▸ L3MBTL3 Q96JM7 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1947049 1.00 F9 (0.53) F9L3MBTL3L3MBTL1ALDH1A1HPGD
SCHEMBL7902808 0.92 F9 (0.52) F9ALDH1A1KMT2A
SCHEMBL1948849 0.92 F9 (0.52) F9ALDH1A1KMT2A
SCHEMBL1438332 0.91 F9 (0.50) F9L3MBTL3L3MBTL1ALDH1A1HPGD
SCHEMBL1949266 0.90 F9 (0.51) F9RAB9AKMT2A
Hydrochloric Acid SCHEMBL1947193 0.90 F9 (0.50) F9RAB9AKMT2A
SCHEMBL1947611 0.89 F9 (0.66) F9ALDH1A1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1947492 0.89 F9 (0.65) F9ALDH1A1NPC1MAPTRAB9A
SCHEMBL12548683 0.88 F9 (0.52) F9ALDH1A1MAPTRECQLSMN1; SMN2
SCHEMBL1945665 0.88 F9 (0.52) F9ALDH1A1MAPTRECQLSMN1; SMN2

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 10 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-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-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 — — 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885L3MBTL3 4197/4885L3MBTL1 3657/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885L3MBTL3 4197/4885L3MBTL1 3657/4885

“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.