SCHEMBL2097920

SCHEMBL2097920

CCCCOc1ccc(C[NH])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
NR5A1 Q13285 1/20 0.52
CYP2D6 P10635 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
PDE4A P27815 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TSHR P16473 1/20 0.51
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 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
SCHEMBL6717273 0.94 NR5A1 (0.61) LTA4HNR5A1SMN1; SMN2TSHRCYP3A4
SCHEMBL26850 0.83 LTA4H (0.70) LTA4HNR5A1CYP2D6CYP1A2SMN1; SMN2
SCHEMBL2644022 0.82 NQO1 (0.67) LTA4HKDM4ESMN1; SMN2TSHRLMNA
SCHEMBL2492282 0.82 CYP2D6 (0.59) LTA4HNR5A1CYP2D6KDM4ECYP1A2
SCHEMBL95824 0.82 SMN1; SMN2 (0.63) LTA4HNR5A1CYP2D6KDM4ECYP1A2
SCHEMBL11591071 0.81 NPC1 (0.55) LTA4HNR5A1CYP2D6KDM4ECYP1A2
SCHEMBL1440336 0.80 NR5A1 (0.55) LTA4HNR5A1SMN1; SMN2TSHRCYP3A4
SCHEMBL16933991 0.80 LMNA (0.62) LTA4HNR5A1CYP2D6KDM4ECYP1A2
SCHEMBL1696516 0.80 ALDH1A1 (0.59) LTA4HNR5A1CYP2D6KDM4ECYP1A2
SCHEMBL12088667 0.79 SMN1; SMN2 (0.56) LTA4HNR5A1CYP2D6KDM4ECYP1A2

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 6 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
US-4094982-A PYRIDINE SULFONAMIDES AND THEIR USE AS ANTICOCCIDIAL AGENTS SANKYO COMPANY LIMITED (JA) 1978-06-13 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 LTA4H 3093/4885NR5A1 675/4885CYP2D6 743/4885

“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.