SCHEMBL2096685

SCHEMBL2096685

FC(F)(F)c1ccccc1CN1CC[N]CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
KDM4E B2RXH2 10/20 0.67
ATM Q13315 3/20 0.67
KMT2A Q03164 4/20 0.63
POLB P06746 1/20 0.60
NPSR1 Q6W5P4 3/20 0.58
TDP1 Q9NUW8 5/20 0.56
GAA P10253 2/20 0.56
RECQL P46063 1/20 0.56
MEN1 O00255 3/20 0.53
HPGD P15428 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
SCD O00767 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL2090077 0.94 KDM4E (0.62) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL2093806 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL31669175 0.84 ALDH1A1 (0.74) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL7850180 0.84 KDM4E (0.48) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL6769005 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL2094063 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EATMKMT2APOLB
Hydrochloric Acid SCHEMBL7405455 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL14318329 0.80 ALDH1A1 (0.88) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL15859936 0.80 KDM4E (0.67) ALDH1A1KDM4EATMKMT2APOLB
SCHEMBL1779555 0.80 KDM4E (0.67) ALDH1A1KDM4EATMKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 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 ALDH1A1 412/4885KDM4E 4578/4885ATM 4071/4885

“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.