Sugi Predict

Sugi Predict / Compounds / SCHEMBL599684

SCHEMBL599684

SCHEMBL599684

CC(=O)Nc1ccc([C]=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.73
▸ MEN1 O00255 4/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ RAB9A P51151 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ HPGD P15428 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ HTT P42858 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ MAPT P10636 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ CA12 O43570 2/20 0.59
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA9 Q16790 2/20 0.59
▸ BRD4 O60885 1/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ MB P02144 1/20 0.59
▸ CYP1A1 P04798 1/20 0.59

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
SCHEMBL861674 0.83 SMN1; SMN2 (0.84) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL1344408 0.81 KDM1A (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL15904299 0.81 KMT2A (0.70) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL474661 0.81 KMT2A (0.70) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10191870 0.79 KMT2A (0.81) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL9771269 0.79 KMT2A (0.68) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10586455 0.79 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL4093711 0.79 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8020463 0.79 SMN1; SMN2 (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL16346196 0.79 KMT2A (0.72) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A

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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015695-A1 PREPARATION OF MONOSACCHARIDES, DISACCHARIDES, TRISACCHARIDES, AND PENTASACCHARIDES OF HEPARINOIDS FORMOSA LABORATORIES, INC. (TW) 2017-01-19 — — US claimed
EP-2557086-A2 Synthetic heparin pentasaccharides Alchemia Limited (AU) 2013-02-13 — — EP claimed
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-16 — — US claimed
US-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2009-07-23 — — US claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 — — US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 — — WO claimed
CN-1261098-C Inhibitors of p 38-alpha kinase SCIOS INC (US) 2006-06-28 — — CN claimed
US-20050080042-A1 synthetic monosaccharides, disaccharides, trisaccharides, tetrasaccharides and pentasaccharides for use in the preparation of synthetic heparinoids; Vascular thrombosis, cardiovascular disease DR. REDDY'S LABORATORIES, SA (CH) 2005-04-14 — — US claimed
CN-1558911-A Synthetic heparin pentasaccharides — 2004-12-29 — — CN claimed
EP-1440077-A1 SYNTHETIC HEPARIN PENTASACCHARIDES Alchemia Limited (AU) 2004-07-28 — — EP claimed
WO-1985000521-A1 ENZYME DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1985-02-14 — — WO claimed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 — — US claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 — — EP claimed
US-4293485-A PEPTIDE FUNGICIDE ELI LILLY AND COMPANY (US) 1981-10-06 — — US claimed
US-4293487-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 — — US claimed
US-4293488-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 — — US claimed
US-4293491-A ANTIFUNGAL PEPTIDES ELI LILLY AND COMPANY (US) 1981-10-06 — — US claimed
US-4293483-A PEPTIDE ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-10-06 — — US claimed
EP-0032009-A1 Derivatives of cyclic peptide nuclei ELI LILLY AND COMPANY (US) 1981-07-15 — — EP claimed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A KMT2A 3396/4885MEN1 1538/4885SMN1; SMN2 2914/4885
US-20170015695-A1 PREPARATION OF MONOSACCHARIDES, DISACCHARIDES, TRISACCHARIDES, AND PENTASACCHARIDES OF HEPARINOIDS HPSE, DDOST, FUT5 KMT2A 3793/4885MEN1 1147/4885SMN1; SMN2 3743/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR KMT2A 288/4885MEN1 1884/4885SMN1; SMN2 4526/4885
US-20050080042-A1 synthetic monosaccharides, disaccharides, trisaccharides, tetrasaccharides and pentasaccharides for use in the preparation of synthetic heparinoids; Vascular thrombosis, cardiovascular disease HPSE, DDOST, STS KMT2A 3629/4885MEN1 1572/4885SMN1; SMN2 2750/4885
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES HPSE, SERPINC1, DDOST KMT2A 3057/4885MEN1 1545/4885SMN1; SMN2 2849/4885

“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.