SCHEMBL2091669

SCHEMBL2091669

Cc1ccc(C(=O)N2CCC[N]CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
PKM P14618 2/20 0.57
HPGD P15428 5/20 0.57
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.50
GRM5 P41594 1/20 0.49
SLC6A7 Q99884 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49

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
SCHEMBL2091419 0.93 ALDH1A1 (0.65) ALDH1A1PKMHPGDKMT2AMEN1
SCHEMBL10192065 0.84 ALDH1A1 (0.71) ALDH1A1PKMHPGDKMT2AMEN1
SCHEMBL1753628 0.84 HPGD (0.76) ALDH1A1PKMHPGDKMT2AMEN1
SCHEMBL2090354 0.84 HPGD (0.55) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL2096241 0.84 HPGD (0.55) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL2095174 0.84 HPGD (0.72) ALDH1A1HPGDKMT2AMAPTLMNA
SCHEMBL2099197 0.84 KMT2A (0.59) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL2089212 0.83 HPGD (0.58) ALDH1A1HPGDKMT2AHTTSMN1; SMN2
SCHEMBL2097647 0.83 HPGD (0.74) ALDH1A1HPGDSMN1; SMN2GRM5SLC6A7
SCHEMBL257545 0.83 HPGD (0.80) ALDH1A1PKMHPGDKMT2AMEN1

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 5 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
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

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 412/4885PKM 3041/4885HPGD 1951/4885

“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.