SCHEMBL5543041

SCHEMBL5543041

O=CNCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CNR1 P21554 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
ROCK1 Q13464 1/20 0.48
NR3C2 P08235 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MIF P14174 1/20 0.48
ACP3 P15309 1/20 0.47
DAO P14920 2/20 0.47
IDO1 P14902 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MAPT P10636 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5535930 0.91 TAAR1 (0.53) TAAR1KDM4EMEN1KMT2ACNR1
SCHEMBL5540234 0.89 HDAC1 (0.54) TAAR1KDM4EMEN1KMT2ACNR1
SCHEMBL568256 0.83 ADH1B (0.53) TAAR1MEN1KMT2ATDP1HDAC1
SCHEMBL3400670 0.83 TACR1 (0.46) KMT2ADAOIDO1
Hydrochloric Acid SCHEMBL6682230 0.81 TACR1 (0.44) KMT2ADAOIDO1
SCHEMBL66607 0.81 TAAR1 (0.61) TAAR1KDM4EMEN1KMT2ANR3C2
Hydrochloric Acid SCHEMBL27770501 0.80 TAAR1 (0.62) TAAR1KDM4EMEN1KMT2ACNR1
SCHEMBL5535476 0.80 TAAR1 (0.50) TAAR1MEN1KMT2ACNR1NR3C2
SCHEMBL7870943 0.79 TAAR1 (0.57) TAAR1NR3C2HDAC1HDAC8MIF
Formaldehyde SCHEMBL28263667 0.79 TAAR1 (0.57) TAAR1KDM4EMEN1KMT2ANR3C2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672953-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-07-28 EP disclosed
WO-2019038315-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-28 WO 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US 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 (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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS TAAR1 121/4885KDM4E 2890/4885MEN1 596/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885KDM4E 4854/4885MEN1 3295/4885

“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.