SCHEMBL2417430

SCHEMBL2417430

CC(=O)CC(=O)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 2/20 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
SCHEMBL5909175 0.85 MEN1 (0.52) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL28910688 0.83 ALDH1A1 (0.39) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL3313335 0.82 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL40805 0.82 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL5878163 0.81 ALDH1A1 (0.38) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL12362276 0.79 MEN1 (0.43) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL13544843 0.79 MEN1 (0.54) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL16333024 0.79 ALDH1A1 (0.41) TSHRALDH1A1TDP1LMNAGAA
SCHEMBL2608299 0.79 TSHR (0.46) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL14902251 0.79 ALDH1A1 (0.41) TSHRALDH1A1TDP1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 EP disclosed
EP-2549991-B1 FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA VIFOR (INTERNATIONAL) AG (CH) 2017-11-22 EP disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-20100300326-A1 NONPOLAR LIQUID AND SOLID PHASE CHANGE INK COMPOSITIONS COMPRISING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-12-02 US disclosed
US-20100300326-A1 NONPOLAR LIQUID AND SOLID PHASE CHANGE INK COMPOSITIONS COMPRISING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-12-02 US disclosed
US-20100035172-A1 NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-02-11 US disclosed
US-20100035172-A1 NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-02-11 US disclosed
US-20100004360-A1 METHODS OF MAKING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-01-07 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
EP-0220653-B1 3-AMINOCARBONYL-1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Nippon Shoji Kabushiki Kaisha (JP) 1991-11-06 EP disclosed
US-4874773-A HYPOTENSIVE AGENTS, VASODILATORS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1989-10-17 US disclosed
EP-0220653-A2 3-Aminocarbonyl-1,4-dihydropyridine-5-carboxylic acid compounds, process for preparation and use thereof, and pharmaceutical composition containing the same Nippon Shoji Kabushiki Kaisha (JP) 1987-05-06 EP disclosed
US-4228071-A Triazine containing fiber-reactive disazo dyestuffs CIBA-GEIGY CORPORATION (US) 1980-10-14 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 (3 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 MEN1 1953/4885KMT2A 102/4885FAAH 1220/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 MEN1 991/4885KMT2A 2843/4885FAAH 3322/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L MEN1 4840/4885KMT2A 1492/4885FAAH 2965/4885

“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.