SCHEMBL3310758

SCHEMBL3310758

O=[C]NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.44
MTOR P42345 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
LSS P48449 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
IDO1 P14902 2/20 0.42
MAPK14 Q16539 1/20 0.41
EPHX2 P34913 1/20 0.41
KIF11 P52732 1/20 0.41
KMT2A Q03164 1/20 0.41
MIF P14174 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL5542842 0.85 CA2 (0.33) ALDH1A1FFAR1MTORHDAC3HDAC1
SCHEMBL5535468 0.81 TAAR1 (0.50) FFAR1TAAR1HDAC1HDAC8EPHX2
SCHEMBL5539082 0.80 MTOR (0.45) MTORIDO1
SCHEMBL3305794 0.80 EPHX2 (0.47) HDAC3HDAC6HDAC8EPHX2KMT2A
SCHEMBL5538857 0.78 HDAC1 (0.50) FFAR1TAAR1HDAC1HDAC8MIF
SCHEMBL3304999 0.78 MLYCD (0.51) FFAR1TAAR1HDAC3HDAC1HDAC2
SCHEMBL1486307 0.77 LMNA (0.47) ALDH1A1IDO1KMT2AMAOB
SCHEMBL1436108 0.76 PTPN1 (0.54) ALDH1A1FFAR1MTORTAAR1IDO1
SCHEMBL514071 0.76 EPHX2 (0.48) ALDH1A1HDAC3HDAC1HDAC2HDAC6
SCHEMBL6232801 0.76 FFAR1 (0.44) ALDH1A1FFAR1MTORTAAR1HDAC3

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 17 patents. 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
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC (US) 2014-11-27 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US 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 (8 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 ALDH1A1 330/4885FFAR1 4657/4885MTOR 4611/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885FFAR1 105/4885MTOR 2921/4885
US-10919874-B2 Metalloenzyme inhibitor compounds MMEL1, GAA, GPX1 ALDH1A1 330/4885FFAR1 4657/4885MTOR 4611/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 ALDH1A1 469/4885FFAR1 502/4885MTOR 2695/4885
US-10370354-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO ALDH1A1 289/4885FFAR1 4628/4885MTOR 4568/4885
US-20180222884-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885FFAR1 4628/4885MTOR 4568/4885
US-20140349973-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885FFAR1 4628/4885MTOR 4568/4885
US-20160214959-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885FFAR1 4628/4885MTOR 4568/4885

“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.