SCHEMBL2095840

SCHEMBL2095840

NCCCCCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.74
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
IDO1 P14902 2/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
MAOB P27338 4/20 0.51
MIF P14174 1/20 0.50
MAOA P21397 1/20 0.50
ACP3 P15309 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DAO P14920 1/20 0.46

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
SCHEMBL6235879 1.00 TAAR1 (0.74) TAAR1HDAC1HDAC8IDO1HTR2A
SCHEMBL1419866 0.98 TAAR1 (0.77) TAAR1HDAC1HDAC8IDO1HTR2A
SCHEMBL365289 0.93 TAAR1 (0.79) TAAR1HDAC1HDAC8IDO1HTR2A
Hydrochloric Acid SCHEMBL12520854 0.91 TAAR1 (0.77) TAAR1HDAC1HDAC8IDO1HTR2A
Naphthalene SCHEMBL4612922 0.87 TAAR1 (0.70) TAAR1HDAC1HDAC8IDO1HTR2A
SCHEMBL2094734 0.86 TAAR1 (0.64) TAAR1HDAC1HDAC8IDO1HTR2A
SCHEMBL12040551 0.86 TAAR1 (0.62) TAAR1HDAC1HDAC8IDO1HTR2A
SCHEMBL40017 0.85 TAAR1 (1.00) TAAR1IDO1HTR2AHTR2CHTR2B
Iodide SCHEMBL28682768 0.84 TAAR1 (0.96) TAAR1IDO1HTR2AHTR2CHTR2B
Bromide SCHEMBL29203648 0.84 TAAR1 (0.96) TAAR1IDO1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US 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
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

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

For each of this compound's patents that has machine-readable text (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TAAR1 163/4885HDAC1 280/4885HDAC8 1199/4885

“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.