SCHEMBL2089355

SCHEMBL2089355

CN([C]=O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR7 P34969 1/20 0.35
NFE2L2 Q16236 1/20 0.34
PARP1 P09874 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2095868 0.79 CES2 (0.32) CES2CES1
SCHEMBL2095098 0.78 ACHE (0.44) KMT2ANPC1RAB9AACHEALDH1A1
SCHEMBL3835181 0.76 KMT2A (0.55) KMT2ANPC1RAB9AACHETAAR1
SCHEMBL27889478 0.76 CES2 (0.36) KMT2ANPC1RAB9AACHETAAR1
SCHEMBL2096475 0.76 APP (0.40) KMT2AALDH1A1MEN1
SCHEMBL2088528 0.76 HTR3E (0.49) KMT2ANPC1RAB9ATAAR1ALDH1A1
SCHEMBL2096895 0.74 APP (0.43) KMT2ANPC1RAB9AACHETAAR1
SCHEMBL27877638 0.73 ACHE (0.41) KMT2ANPC1RAB9AACHETAAR1
SCHEMBL2093673 0.73 CES2 (0.34) KMT2ANPC1RAB9ACES2CES1
SCHEMBL209159 0.73 KMT2A (0.48) KMT2ANPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919874-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2021-02-16 US disclosed
US-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2019-12-19 US disclosed
US-10370354-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (KY) 2019-08-06 US disclosed
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2018-08-09 US disclosed
EP-3351541-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. (US) 2018-07-25 EP disclosed
US-9938255-B2 Metalloenzyme inhibitor compounds VPS-3, INC. (US) 2018-04-10 US disclosed
EP-2788343-B1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (NC) INC (US) 2018-02-28 EP disclosed
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2016-07-28 US disclosed
US-9309273-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (7 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-20190382370-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GAA, GPX1 KMT2A 1866/4885NPC1 458/4885RAB9A 2636/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KMT2A 4267/4885NPC1 2404/4885RAB9A 2824/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 KMT2A 1866/4885NPC1 458/4885RAB9A 2636/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 KMT2A 3324/4885NPC1 3130/4885RAB9A 3153/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO KMT2A 1886/4885NPC1 565/4885RAB9A 2721/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885NPC1 565/4885RAB9A 2721/4885
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885NPC1 565/4885RAB9A 2721/4885

“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.