SCHEMBL2090733

SCHEMBL2090733

CCOc1ccc([N]C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 1/20 0.60
ADRA2A P08913 2/20 0.59
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
LTA4H P09960 2/20 0.50
MEN1 O00255 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP10 Q53GL7 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL8762872 0.83 NQO1 (0.70) NQO1TDP1TSHRADRA2AKMT2A
SCHEMBL8762877 0.83 NQO1 (0.70) NQO1TDP1TSHRADRA2AKMT2A
SCHEMBL4401293 0.83 NQO1 (0.70) NQO1TDP1TSHRADRA2AKMT2A
SCHEMBL14228658 0.82 NQO1 (0.61) NQO1TDP1TSHRADRA2AKMT2A
SCHEMBL13017753 0.82 NQO1 (0.61) NQO1TDP1TSHRADRA2AKMT2A
1,4-Diethoxybenzene SCHEMBL124015 0.82 NQO1 (1.00) NQO1TDP1TSHRADRA2AALDH1A1
1,4-Diethoxybenzene SCHEMBL28186701 0.82 NQO1 (1.00) NQO1TDP1TSHRADRA2AALDH1A1
SCHEMBL5532994 0.79 NQO1 (0.64) NQO1TDP1TSHRADRA2AKMT2A
SCHEMBL19953032 0.79 NQO1 (0.64) NQO1TDP1TSHRADRA2AKMT2A
SCHEMBL8588124 0.79 NQO1 (0.64) NQO1TDP1TSHRADRA2AKMT2A

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 10 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-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-4904637-A Recording material comprising chromogenic 3,1-benzoxazines BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4835270-A PRESSURE-, HEAT- AND ELECTROSENSITIVE ELEMENTS; ACID DEVELOPERS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
EP-0187329-B1 CHROMOGENIC 3,1-BENZOXAZINES BAYER AG (DE) 1989-03-08 EP disclosed
EP-0187329-A1 Chromogenic 3,1-benzoxazines BAYER AG (DE) 1986-07-16 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 (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 NQO1 288/4885TDP1 4548/4885TSHR 162/4885

“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.